6-amino-5-[2-[[5-(2-chloro-4,6-dimethylanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetyl]-1-cyclopropylpyrimidine-2,4-dione

C19H19ClN6O3S2 — CID 33083049

IUPAC6-amino-5-[2-[[5-(2-chloro-4,6-dimethylanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetyl]-1-cyclopropylpyrimidine-2,4-dione
SMILESCc1cc(C)c(Nc2nnc(SCC(=O)c3c(N)n(C4CC4)c(=O)[nH]c3=O)s2)c(Cl)c1
InChIInChI=1S/C19H19ClN6O3S2/c1-8-5-9(2)14(11(20)6-8)22-17-24-25-19(31-17)30-7-12(27)13-15(21)26(10-3-4-10)18(29)23-16(13)28/h5-6,10H,3-4,7,21H2,1-2H3,(H,22,24)(H,23,28,29)
InChIKeyRASFJDCOKAPTLV-UHFFFAOYSA-N
MW478.99 g/mol
LogP3.29
Rot. Bonds7

About 6-amino-5-[2-[[5-(2-chloro-4,6-dimethylanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetyl]-1-cyclopropylpyrimidine-2,4-dione

6-amino-5-[2-[[5-(2-chloro-4,6-dimethylanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetyl]-1-cyclopropylpyrimidine-2,4-dione (PubChem CID 33083049) has the molecular formula C19H19ClN6O3S2 and a molecular weight of 478.99 g/mol. Its IUPAC name is 6-amino-5-[2-[[5-(2-chloro-4,6-dimethylanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetyl]-1-cyclopropylpyrimidine-2,4-dione.

Molecular Properties

Compound Name6-amino-5-[2-[[5-(2-chloro-4,6-dimethylanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetyl]-1-cyclopropylpyrimidine-2,4-dione
PubChem CID33083049
Molecular FormulaC19H19ClN6O3S2
Molecular Weight478.99 g/mol
Exact Mass478.06
IUPAC Name6-amino-5-[2-[[5-(2-chloro-4,6-dimethylanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetyl]-1-cyclopropylpyrimidine-2,4-dione
SMILESCc1cc(C)c(Nc2nnc(SCC(=O)c3c(N)n(C4CC4)c(=O)[nH]c3=O)s2)c(Cl)c1
InChIInChI=1S/C19H19ClN6O3S2/c1-8-5-9(2)14(11(20)6-8)22-17-24-25-19(31-17)30-7-12(27)13-15(21)26(10-3-4-10)18(29)23-16(13)28/h5-6,10H,3-4,7,21H2,1-2H3,(H,22,24)(H,23,28,29)
InChIKeyRASFJDCOKAPTLV-UHFFFAOYSA-N
XLogP3.29
TPSA135.76 Ų
H-Bond Donors3
H-Bond Acceptors10
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500478.99
LogP ≤ 53.29
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1010

Analyze 6-amino-5-[2-[[5-(2-chloro-4,6-dimethylanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetyl]-1-cyclopropylpyrimidine-2,4-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

6-amino-1-cyclopropyl-5-[2-[[5-(2-thiophen-2-ylethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetyl]pyrimidine-2,4-dione
CID 24562967
6-amino-5-[2-[[5-(3-chloro-4-methylanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetyl]-1-propylpyrimidine-2,4-dione
CID 24522178
6-amino-1-cyclopropyl-5-[2-[(4,5-dimethyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]pyrimidine-2,4-dione
CID 9467636
6-amino-5-[2-[[5-(2-ethyl-6-methylanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetyl]-1-propylpyrimidine-2,4-dione
CID 24522272
4-[[2-[[5-(2-chloro-4,6-dimethylanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetyl]amino]benzamide
CID 46639607
6-amino-1-cyclopropyl-5-[2-[[5-methyl-4-(3-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetyl]pyrimidine-2,4-dione
CID 34788383
6-amino-5-[2-[[5-(3-methylanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetyl]-1-(2-methylpropyl)pyrimidine-2,4-dione
CID 24570459
6-amino-1-cyclopropyl-5-[2-[(4-cyclopropyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]pyrimidine-2,4-dione
CID 24600717
6-amino-1-cyclopropyl-5-(2-pyrimidin-2-ylsulfanylacetyl)pyrimidine-2,4-dione
CID 9360297
2-[[5-(2-chloro-4,6-dimethylanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetonitrile
CID 27063016
6-amino-5-[2-[(5-anilino-1,3,4-thiadiazol-2-yl)sulfanyl]acetyl]-1-(2-methylpropyl)pyrimidine-2,4-dione
CID 42370683
6-amino-5-[2-[(4-cyclopropyl-5-methyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]-1-methylpyrimidine-2,4-dione
CID 8723615

Frequently Asked Questions

What is the IUPAC name of 6-amino-5-[2-[[5-(2-chloro-4,6-dimethylanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetyl]-1-cyclopropylpyrimidine-2,4-dione?
The IUPAC name of 6-amino-5-[2-[[5-(2-chloro-4,6-dimethylanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetyl]-1-cyclopropylpyrimidine-2,4-dione (CID 33083049) is 6-amino-5-[2-[[5-(2-chloro-4,6-dimethylanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetyl]-1-cyclopropylpyrimidine-2,4-dione.
What is the SMILES notation for 6-amino-5-[2-[[5-(2-chloro-4,6-dimethylanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetyl]-1-cyclopropylpyrimidine-2,4-dione?
The canonical SMILES for 6-amino-5-[2-[[5-(2-chloro-4,6-dimethylanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetyl]-1-cyclopropylpyrimidine-2,4-dione is Cc1cc(C)c(Nc2nnc(SCC(=O)c3c(N)n(C4CC4)c(=O)[nH]c3=O)s2)c(Cl)c1.
What is the InChIKey of 6-amino-5-[2-[[5-(2-chloro-4,6-dimethylanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetyl]-1-cyclopropylpyrimidine-2,4-dione?
The InChIKey is RASFJDCOKAPTLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19ClN6O3S2/c1-8-5-9(2)14(11(20)6-8)22-17-24-25-19(31-17)30-7-12(27)13-15(21)26(10-3-4-10)18(29)23-16(13)28/h5-6,10H,3-4,7,21H2,1-2H3,(H,22,24)(H,23,28,29).
What are the key properties of 6-amino-5-[2-[[5-(2-chloro-4,6-dimethylanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetyl]-1-cyclopropylpyrimidine-2,4-dione?
6-amino-5-[2-[[5-(2-chloro-4,6-dimethylanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetyl]-1-cyclopropylpyrimidine-2,4-dione has a molecular weight of 478.99 g/mol, XLogP of 3.29, 7 rotatable bonds, 3 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-5-[2-[[5-(2-chloro-4,6-dimethylanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetyl]-1-cyclopropylpyrimidine-2,4-dione is sourced from PubChem (CID 33083049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).