4-(2-methyl-1,3-thiazol-4-yl)-5-N-(1-pyridin-4-ylethyl)-1,2-thiazole-3,5-diamine

C14H15N5S2 — CID 103382912

IUPAC4-(2-methyl-1,3-thiazol-4-yl)-5-N-(1-pyridin-4-ylethyl)-1,2-thiazole-3,5-diamine
SMILESCc1nc(-c2c(N)nsc2NC(C)c2ccncc2)cs1
InChIInChI=1S/C14H15N5S2/c1-8(10-3-5-16-6-4-10)17-14-12(13(15)19-21-14)11-7-20-9(2)18-11/h3-8,17H,1-2H3,(H2,15,19)
InChIKeyVGELUFQTUICMJK-UHFFFAOYSA-N
MW317.44 g/mol
LogP3.73
Rot. Bonds4

About 4-(2-methyl-1,3-thiazol-4-yl)-5-N-(1-pyridin-4-ylethyl)-1,2-thiazole-3,5-diamine

4-(2-methyl-1,3-thiazol-4-yl)-5-N-(1-pyridin-4-ylethyl)-1,2-thiazole-3,5-diamine (PubChem CID 103382912) has the molecular formula C14H15N5S2 and a molecular weight of 317.44 g/mol. Its IUPAC name is 4-(2-methyl-1,3-thiazol-4-yl)-5-N-(1-pyridin-4-ylethyl)-1,2-thiazole-3,5-diamine.

Molecular Properties

Compound Name4-(2-methyl-1,3-thiazol-4-yl)-5-N-(1-pyridin-4-ylethyl)-1,2-thiazole-3,5-diamine
PubChem CID103382912
Molecular FormulaC14H15N5S2
Molecular Weight317.44 g/mol
Exact Mass317.08
IUPAC Name4-(2-methyl-1,3-thiazol-4-yl)-5-N-(1-pyridin-4-ylethyl)-1,2-thiazole-3,5-diamine
SMILESCc1nc(-c2c(N)nsc2NC(C)c2ccncc2)cs1
InChIInChI=1S/C14H15N5S2/c1-8(10-3-5-16-6-4-10)17-14-12(13(15)19-21-14)11-7-20-9(2)18-11/h3-8,17H,1-2H3,(H2,15,19)
InChIKeyVGELUFQTUICMJK-UHFFFAOYSA-N
XLogP3.73
TPSA76.72 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.44
LogP ≤ 53.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

4-pyridin-4-yl-5-N-(1-pyridin-4-ylethyl)-1,2-thiazole-3,5-diamine
CID 103363995
4-(2-methyl-1,3-thiazol-4-yl)-5-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]-1,2-thiazole-3,5-diamine
CID 103379888
5-N-(4-methoxybutan-2-yl)-4-(2-methyl-1,3-thiazol-4-yl)-1,2-thiazole-3,5-diamine
CID 103378757
4-(2-methyl-1,3-thiazol-4-yl)-1,2-thiazole-3,5-diamine
CID 103382767
4-(4-methyl-1,3-thiazol-2-yl)-5-N-(1-phenylethyl)-1,2-thiazole-3,5-diamine
CID 103349504
5-[[3-amino-4-(2-methyl-1,3-thiazol-4-yl)-1,2-thiazol-5-yl]amino]pentan-2-ol
CID 106138945
4-(2-methyl-1,3-thiazol-4-yl)-5-N-(thian-4-yl)-1,2-thiazole-3,5-diamine
CID 103384525
5-N-[2-(3-methylbutoxy)ethyl]-4-(2-methyl-1,3-thiazol-4-yl)-1,2-thiazole-3,5-diamine
CID 103379335
5-N-(3-methylpentan-2-yl)-4-pyridin-4-yl-1,2-thiazole-3,5-diamine
CID 103359578
3-[[3-amino-4-(2-methyl-1,3-thiazol-4-yl)-1,2-thiazol-5-yl]amino]-N-propan-2-ylpropanamide
CID 103384097
4-[[3-amino-4-(2-methyl-1,3-thiazol-4-yl)-1,2-thiazol-5-yl]amino]-1-methoxybutan-2-ol
CID 106249139
3-[[3-amino-4-(2-methyl-1,3-thiazol-4-yl)-1,2-thiazol-5-yl]amino]-2-hydroxypropanamide
CID 106174670

Frequently Asked Questions

What is the IUPAC name of 4-(2-methyl-1,3-thiazol-4-yl)-5-N-(1-pyridin-4-ylethyl)-1,2-thiazole-3,5-diamine?
The IUPAC name of 4-(2-methyl-1,3-thiazol-4-yl)-5-N-(1-pyridin-4-ylethyl)-1,2-thiazole-3,5-diamine (CID 103382912) is 4-(2-methyl-1,3-thiazol-4-yl)-5-N-(1-pyridin-4-ylethyl)-1,2-thiazole-3,5-diamine.
What is the SMILES notation for 4-(2-methyl-1,3-thiazol-4-yl)-5-N-(1-pyridin-4-ylethyl)-1,2-thiazole-3,5-diamine?
The canonical SMILES for 4-(2-methyl-1,3-thiazol-4-yl)-5-N-(1-pyridin-4-ylethyl)-1,2-thiazole-3,5-diamine is Cc1nc(-c2c(N)nsc2NC(C)c2ccncc2)cs1.
What is the InChIKey of 4-(2-methyl-1,3-thiazol-4-yl)-5-N-(1-pyridin-4-ylethyl)-1,2-thiazole-3,5-diamine?
The InChIKey is VGELUFQTUICMJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N5S2/c1-8(10-3-5-16-6-4-10)17-14-12(13(15)19-21-14)11-7-20-9(2)18-11/h3-8,17H,1-2H3,(H2,15,19).
What are the key properties of 4-(2-methyl-1,3-thiazol-4-yl)-5-N-(1-pyridin-4-ylethyl)-1,2-thiazole-3,5-diamine?
4-(2-methyl-1,3-thiazol-4-yl)-5-N-(1-pyridin-4-ylethyl)-1,2-thiazole-3,5-diamine has a molecular weight of 317.44 g/mol, XLogP of 3.73, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methyl-1,3-thiazol-4-yl)-5-N-(1-pyridin-4-ylethyl)-1,2-thiazole-3,5-diamine is sourced from PubChem (CID 103382912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).