6-[[5-(cyclohexylamino)-1,3,4-thiadiazol-2-yl]sulfanylmethyl]-1,3-dimethylpyrimidine-2,4-dione

C15H21N5O2S2 — CID 17426607

IUPAC6-[[5-(cyclohexylamino)-1,3,4-thiadiazol-2-yl]sulfanylmethyl]-1,3-dimethylpyrimidine-2,4-dione
SMILESCn1c(CSc2nnc(NC3CCCCC3)s2)cc(=O)n(C)c1=O
InChIInChI=1S/C15H21N5O2S2/c1-19-11(8-12(21)20(2)15(19)22)9-23-14-18-17-13(24-14)16-10-6-4-3-5-7-10/h8,10H,3-7,9H2,1-2H3,(H,16,17)
InChIKeyWLVYGTOXYBLFDD-UHFFFAOYSA-N
MW367.50 g/mol
LogP1.97
Rot. Bonds5

About 6-[[5-(cyclohexylamino)-1,3,4-thiadiazol-2-yl]sulfanylmethyl]-1,3-dimethylpyrimidine-2,4-dione

6-[[5-(cyclohexylamino)-1,3,4-thiadiazol-2-yl]sulfanylmethyl]-1,3-dimethylpyrimidine-2,4-dione (PubChem CID 17426607) has the molecular formula C15H21N5O2S2 and a molecular weight of 367.50 g/mol. Its IUPAC name is 6-[[5-(cyclohexylamino)-1,3,4-thiadiazol-2-yl]sulfanylmethyl]-1,3-dimethylpyrimidine-2,4-dione.

Molecular Properties

Compound Name6-[[5-(cyclohexylamino)-1,3,4-thiadiazol-2-yl]sulfanylmethyl]-1,3-dimethylpyrimidine-2,4-dione
PubChem CID17426607
Molecular FormulaC15H21N5O2S2
Molecular Weight367.50 g/mol
Exact Mass367.11
IUPAC Name6-[[5-(cyclohexylamino)-1,3,4-thiadiazol-2-yl]sulfanylmethyl]-1,3-dimethylpyrimidine-2,4-dione
SMILESCn1c(CSc2nnc(NC3CCCCC3)s2)cc(=O)n(C)c1=O
InChIInChI=1S/C15H21N5O2S2/c1-19-11(8-12(21)20(2)15(19)22)9-23-14-18-17-13(24-14)16-10-6-4-3-5-7-10/h8,10H,3-7,9H2,1-2H3,(H,16,17)
InChIKeyWLVYGTOXYBLFDD-UHFFFAOYSA-N
XLogP1.97
TPSA81.81 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.50
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze 6-[[5-(cyclohexylamino)-1,3,4-thiadiazol-2-yl]sulfanylmethyl]-1,3-dimethylpyrimidine-2,4-dione with MolForge

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Related Compounds

6-[[5-(3-chloro-4-methylanilino)-1,3,4-thiadiazol-2-yl]sulfanylmethyl]-1,3-dimethylpyrimidine-2,4-dione
CID 55476850
1-[2-[[5-(cyclohexylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]ethyl]pyrrolidine-2,5-dione
CID 38656059
1,3-dimethyl-6-[[5-(4-phenoxyanilino)-1,3,4-thiadiazol-2-yl]sulfanylmethyl]pyrimidine-2,4-dione
CID 24576541
6-[[5-(3-chloro-2-methylanilino)-1,3,4-thiadiazol-2-yl]sulfanylmethyl]-1,3-dimethylpyrimidine-2,4-dione
CID 55476684
2-[[5-(cyclohexylamino)-1,3,4-thiadiazol-2-yl]sulfanylmethyl]pyrido[1,2-a]pyrimidin-4-one
CID 51216778
N-cyclohexyl-5-(2-methylprop-2-enylsulfanyl)-1,3,4-thiadiazol-2-amine
CID 47096016
N-cyclopropyl-N-[5-[(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]propanamide
CID 16580464
2-[[5-(cyclohexylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-N-cyclopropylacetamide
CID 17402396
5-(1,3-benzodioxol-5-ylmethylsulfanyl)-N-cyclohexyl-1,3,4-thiadiazol-2-amine
CID 17463397
3-[[5-(cyclohexylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]propanoic acid
CID 94705670
N-cyclohexyl-5-[3-(1-methylpyrazol-4-yl)propylsulfanyl]-1,3,4-thiadiazol-2-amine
CID 87009326
N-cyclopentyl-2-[(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)methylsulfanyl]propanamide
CID 60541745

Frequently Asked Questions

What is the IUPAC name of 6-[[5-(cyclohexylamino)-1,3,4-thiadiazol-2-yl]sulfanylmethyl]-1,3-dimethylpyrimidine-2,4-dione?
The IUPAC name of 6-[[5-(cyclohexylamino)-1,3,4-thiadiazol-2-yl]sulfanylmethyl]-1,3-dimethylpyrimidine-2,4-dione (CID 17426607) is 6-[[5-(cyclohexylamino)-1,3,4-thiadiazol-2-yl]sulfanylmethyl]-1,3-dimethylpyrimidine-2,4-dione.
What is the SMILES notation for 6-[[5-(cyclohexylamino)-1,3,4-thiadiazol-2-yl]sulfanylmethyl]-1,3-dimethylpyrimidine-2,4-dione?
The canonical SMILES for 6-[[5-(cyclohexylamino)-1,3,4-thiadiazol-2-yl]sulfanylmethyl]-1,3-dimethylpyrimidine-2,4-dione is Cn1c(CSc2nnc(NC3CCCCC3)s2)cc(=O)n(C)c1=O.
What is the InChIKey of 6-[[5-(cyclohexylamino)-1,3,4-thiadiazol-2-yl]sulfanylmethyl]-1,3-dimethylpyrimidine-2,4-dione?
The InChIKey is WLVYGTOXYBLFDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N5O2S2/c1-19-11(8-12(21)20(2)15(19)22)9-23-14-18-17-13(24-14)16-10-6-4-3-5-7-10/h8,10H,3-7,9H2,1-2H3,(H,16,17).
What are the key properties of 6-[[5-(cyclohexylamino)-1,3,4-thiadiazol-2-yl]sulfanylmethyl]-1,3-dimethylpyrimidine-2,4-dione?
6-[[5-(cyclohexylamino)-1,3,4-thiadiazol-2-yl]sulfanylmethyl]-1,3-dimethylpyrimidine-2,4-dione has a molecular weight of 367.50 g/mol, XLogP of 1.97, 5 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[5-(cyclohexylamino)-1,3,4-thiadiazol-2-yl]sulfanylmethyl]-1,3-dimethylpyrimidine-2,4-dione is sourced from PubChem (CID 17426607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).