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

C12H13N5S3 — CID 103349079

IUPAC5-N-methyl-4-(4-methyl-1,3-thiazol-2-yl)-5-N-(1,3-thiazol-4-ylmethyl)-1,2-thiazole-3,5-diamine
SMILESCc1csc(-c2c(N)nsc2N(C)Cc2cscn2)n1
InChIInChI=1S/C12H13N5S3/c1-7-4-19-11(15-7)9-10(13)16-20-12(9)17(2)3-8-5-18-6-14-8/h4-6H,3H2,1-2H3,(H2,13,16)
InChIKeySYVCMCQLDSXMPF-UHFFFAOYSA-N
MW323.47 g/mol
LogP3.25
Rot. Bonds4

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

5-N-methyl-4-(4-methyl-1,3-thiazol-2-yl)-5-N-(1,3-thiazol-4-ylmethyl)-1,2-thiazole-3,5-diamine (PubChem CID 103349079) has the molecular formula C12H13N5S3 and a molecular weight of 323.47 g/mol. Its IUPAC name is 5-N-methyl-4-(4-methyl-1,3-thiazol-2-yl)-5-N-(1,3-thiazol-4-ylmethyl)-1,2-thiazole-3,5-diamine.

Molecular Properties

Compound Name5-N-methyl-4-(4-methyl-1,3-thiazol-2-yl)-5-N-(1,3-thiazol-4-ylmethyl)-1,2-thiazole-3,5-diamine
PubChem CID103349079
Molecular FormulaC12H13N5S3
Molecular Weight323.47 g/mol
Exact Mass323.03
IUPAC Name5-N-methyl-4-(4-methyl-1,3-thiazol-2-yl)-5-N-(1,3-thiazol-4-ylmethyl)-1,2-thiazole-3,5-diamine
SMILESCc1csc(-c2c(N)nsc2N(C)Cc2cscn2)n1
InChIInChI=1S/C12H13N5S3/c1-7-4-19-11(15-7)9-10(13)16-20-12(9)17(2)3-8-5-18-6-14-8/h4-6H,3H2,1-2H3,(H2,13,16)
InChIKeySYVCMCQLDSXMPF-UHFFFAOYSA-N
XLogP3.25
TPSA67.93 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.47
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

5-N-methyl-4-(4-methyl-1,3-thiazol-2-yl)-5-N-(2-propan-2-yloxyethyl)-1,2-thiazole-3,5-diamine
CID 103349665
5-N-(cyclohexylmethyl)-5-N-methyl-4-(4-methyl-1,3-thiazol-2-yl)-1,2-thiazole-3,5-diamine
CID 103349244
2-[[3-amino-4-(4-methyl-1,3-thiazol-2-yl)-1,2-thiazol-5-yl]-methylamino]-2-methylpropan-1-ol
CID 103349800
2-[[3-amino-4-(4-methyl-1,3-thiazol-2-yl)-1,2-thiazol-5-yl]-methylamino]-N-ethylacetamide
CID 103349191
5-N-methyl-5-N-(3-methylbutan-2-yl)-4-(4-methyl-1,3-thiazol-2-yl)-1,2-thiazole-3,5-diamine
CID 103349054
5-N-[2-(cyclopropylmethoxy)ethyl]-5-N-methyl-4-(4-methyl-1,3-thiazol-2-yl)-1,2-thiazole-3,5-diamine
CID 103349675
6-N-methyl-6-N-(1,3-thiazol-4-ylmethyl)pyridine-2,3,6-triamine
CID 79825816
5-N-methyl-5-N-(4-methylsulfanylbutan-2-yl)-4-(4-methyl-1,3-thiazol-2-yl)-1,2-thiazole-3,5-diamine
CID 103349822
3-amino-5-[methyl(1,3-thiazol-4-ylmethyl)amino]-N-propan-2-yl-1,2-thiazole-4-carboxamide
CID 103379722
3-amino-N-cyclopropyl-5-[methyl(1,3-thiazol-4-ylmethyl)amino]-1,2-thiazole-4-carboxamide
CID 103379718
2-N-methyl-2-N-(1,3-thiazol-4-ylmethyl)pyrazine-2,5-diamine
CID 80653268
2-N,5-dimethyl-2-N-(1,3-thiazol-4-ylmethyl)pyridine-2,4-diamine
CID 83266327

Frequently Asked Questions

What is the IUPAC name of 5-N-methyl-4-(4-methyl-1,3-thiazol-2-yl)-5-N-(1,3-thiazol-4-ylmethyl)-1,2-thiazole-3,5-diamine?
The IUPAC name of 5-N-methyl-4-(4-methyl-1,3-thiazol-2-yl)-5-N-(1,3-thiazol-4-ylmethyl)-1,2-thiazole-3,5-diamine (CID 103349079) is 5-N-methyl-4-(4-methyl-1,3-thiazol-2-yl)-5-N-(1,3-thiazol-4-ylmethyl)-1,2-thiazole-3,5-diamine.
What is the SMILES notation for 5-N-methyl-4-(4-methyl-1,3-thiazol-2-yl)-5-N-(1,3-thiazol-4-ylmethyl)-1,2-thiazole-3,5-diamine?
The canonical SMILES for 5-N-methyl-4-(4-methyl-1,3-thiazol-2-yl)-5-N-(1,3-thiazol-4-ylmethyl)-1,2-thiazole-3,5-diamine is Cc1csc(-c2c(N)nsc2N(C)Cc2cscn2)n1.
What is the InChIKey of 5-N-methyl-4-(4-methyl-1,3-thiazol-2-yl)-5-N-(1,3-thiazol-4-ylmethyl)-1,2-thiazole-3,5-diamine?
The InChIKey is SYVCMCQLDSXMPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N5S3/c1-7-4-19-11(15-7)9-10(13)16-20-12(9)17(2)3-8-5-18-6-14-8/h4-6H,3H2,1-2H3,(H2,13,16).
What are the key properties of 5-N-methyl-4-(4-methyl-1,3-thiazol-2-yl)-5-N-(1,3-thiazol-4-ylmethyl)-1,2-thiazole-3,5-diamine?
5-N-methyl-4-(4-methyl-1,3-thiazol-2-yl)-5-N-(1,3-thiazol-4-ylmethyl)-1,2-thiazole-3,5-diamine has a molecular weight of 323.47 g/mol, XLogP of 3.25, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-N-methyl-4-(4-methyl-1,3-thiazol-2-yl)-5-N-(1,3-thiazol-4-ylmethyl)-1,2-thiazole-3,5-diamine is sourced from PubChem (CID 103349079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).