N-[4-(2-chlorophenyl)-1,3-thiazol-2-yl]-2-(4,6-diaminopyrimidin-2-yl)sulfanylpropanamide

C16H15ClN6OS2 — CID 23743440

IUPACN-[4-(2-chlorophenyl)-1,3-thiazol-2-yl]-2-(4,6-diaminopyrimidin-2-yl)sulfanylpropanamide
SMILESCC(Sc1nc(N)cc(N)n1)C(=O)Nc1nc(-c2ccccc2Cl)cs1
InChIInChI=1S/C16H15ClN6OS2/c1-8(26-16-21-12(18)6-13(19)22-16)14(24)23-15-20-11(7-25-15)9-4-2-3-5-10(9)17/h2-8H,1H3,(H,20,23,24)(H4,18,19,21,22)
InChIKeyLNYTZMQRCXVJOY-UHFFFAOYSA-N
MW406.92 g/mol
LogP3.54
Rot. Bonds5

About N-[4-(2-chlorophenyl)-1,3-thiazol-2-yl]-2-(4,6-diaminopyrimidin-2-yl)sulfanylpropanamide

N-[4-(2-chlorophenyl)-1,3-thiazol-2-yl]-2-(4,6-diaminopyrimidin-2-yl)sulfanylpropanamide (PubChem CID 23743440) has the molecular formula C16H15ClN6OS2 and a molecular weight of 406.92 g/mol. Its IUPAC name is N-[4-(2-chlorophenyl)-1,3-thiazol-2-yl]-2-(4,6-diaminopyrimidin-2-yl)sulfanylpropanamide.

Molecular Properties

Compound NameN-[4-(2-chlorophenyl)-1,3-thiazol-2-yl]-2-(4,6-diaminopyrimidin-2-yl)sulfanylpropanamide
PubChem CID23743440
Molecular FormulaC16H15ClN6OS2
Molecular Weight406.92 g/mol
Exact Mass406.04
IUPAC NameN-[4-(2-chlorophenyl)-1,3-thiazol-2-yl]-2-(4,6-diaminopyrimidin-2-yl)sulfanylpropanamide
SMILESCC(Sc1nc(N)cc(N)n1)C(=O)Nc1nc(-c2ccccc2Cl)cs1
InChIInChI=1S/C16H15ClN6OS2/c1-8(26-16-21-12(18)6-13(19)22-16)14(24)23-15-20-11(7-25-15)9-4-2-3-5-10(9)17/h2-8H,1H3,(H,20,23,24)(H4,18,19,21,22)
InChIKeyLNYTZMQRCXVJOY-UHFFFAOYSA-N
XLogP3.54
TPSA119.81 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.92
LogP ≤ 53.54
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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Related Compounds

(2S)-2-amino-N-[4-(2-chlorophenyl)-1,3-thiazol-2-yl]-3-methylbutanamide;hydrochloride
CID 119264489
N-[4-(2-chlorophenyl)-1,3-thiazol-2-yl]-2-(5H-[1,2,4]triazino[5,6-b]indol-3-ylsulfanyl)propanamide
CID 23914760
N-[4-(2,4-dichlorophenyl)-1,3-thiazol-2-yl]-2-pyridin-2-ylsulfanylpropanamide
CID 23886661
2-bromo-N-[4-(2-chlorophenyl)-1,3-thiazol-2-yl]butanamide
CID 62856308
N-[3-[1-[[4-(2-chlorophenyl)-1,3-thiazol-2-yl]amino]-1-oxopropan-2-yl]sulfanylphenyl]-2-methylbenzamide
CID 18900356
4-chloro-N-[1-[[4-(2-chlorophenyl)-1,3-thiazol-2-yl]amino]-1-oxopropan-2-yl]benzamide
CID 112760826
2-benzylsulfanyl-N-[4-(2,4-dichlorophenyl)-1,3-thiazol-2-yl]propanamide
CID 23998455
N-[4-(2-chlorophenyl)-1,3-thiazol-2-yl]-1-phenylcyclopropane-1-carboxamide
CID 26065990
N-[4-(2-chlorophenyl)-1,3-thiazol-2-yl]-2,2,3,3-tetramethylcyclopropane-1-carboxamide
CID 23860914
2-(4-aminothieno[2,3-d]pyrimidin-2-yl)sulfanyl-N-(4-phenyl-1,3-thiazol-2-yl)propanamide
CID 24528300
N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-2-(6-phenylpyrimidin-4-yl)sulfanylpropanamide
CID 46304865
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Frequently Asked Questions

What is the IUPAC name of N-[4-(2-chlorophenyl)-1,3-thiazol-2-yl]-2-(4,6-diaminopyrimidin-2-yl)sulfanylpropanamide?
The IUPAC name of N-[4-(2-chlorophenyl)-1,3-thiazol-2-yl]-2-(4,6-diaminopyrimidin-2-yl)sulfanylpropanamide (CID 23743440) is N-[4-(2-chlorophenyl)-1,3-thiazol-2-yl]-2-(4,6-diaminopyrimidin-2-yl)sulfanylpropanamide.
What is the SMILES notation for N-[4-(2-chlorophenyl)-1,3-thiazol-2-yl]-2-(4,6-diaminopyrimidin-2-yl)sulfanylpropanamide?
The canonical SMILES for N-[4-(2-chlorophenyl)-1,3-thiazol-2-yl]-2-(4,6-diaminopyrimidin-2-yl)sulfanylpropanamide is CC(Sc1nc(N)cc(N)n1)C(=O)Nc1nc(-c2ccccc2Cl)cs1.
What is the InChIKey of N-[4-(2-chlorophenyl)-1,3-thiazol-2-yl]-2-(4,6-diaminopyrimidin-2-yl)sulfanylpropanamide?
The InChIKey is LNYTZMQRCXVJOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15ClN6OS2/c1-8(26-16-21-12(18)6-13(19)22-16)14(24)23-15-20-11(7-25-15)9-4-2-3-5-10(9)17/h2-8H,1H3,(H,20,23,24)(H4,18,19,21,22).
What are the key properties of N-[4-(2-chlorophenyl)-1,3-thiazol-2-yl]-2-(4,6-diaminopyrimidin-2-yl)sulfanylpropanamide?
N-[4-(2-chlorophenyl)-1,3-thiazol-2-yl]-2-(4,6-diaminopyrimidin-2-yl)sulfanylpropanamide has a molecular weight of 406.92 g/mol, XLogP of 3.54, 5 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2-chlorophenyl)-1,3-thiazol-2-yl]-2-(4,6-diaminopyrimidin-2-yl)sulfanylpropanamide is sourced from PubChem (CID 23743440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).