3-amino-5-[methyl(1,3-thiazol-4-ylmethyl)amino]-N-propan-2-yl-1,2-thiazole-4-carboxamide

C12H17N5OS2 — CID 103379722

IUPAC3-amino-5-[methyl(1,3-thiazol-4-ylmethyl)amino]-N-propan-2-yl-1,2-thiazole-4-carboxamide
SMILESCC(C)NC(=O)c1c(N)nsc1N(C)Cc1cscn1
InChIInChI=1S/C12H17N5OS2/c1-7(2)15-11(18)9-10(13)16-20-12(9)17(3)4-8-5-19-6-14-8/h5-7H,4H2,1-3H3,(H2,13,16)(H,15,18)
InChIKeyOFQOPINAQKVFJR-UHFFFAOYSA-N
MW311.44 g/mol
LogP1.96
Rot. Bonds5

About 3-amino-5-[methyl(1,3-thiazol-4-ylmethyl)amino]-N-propan-2-yl-1,2-thiazole-4-carboxamide

3-amino-5-[methyl(1,3-thiazol-4-ylmethyl)amino]-N-propan-2-yl-1,2-thiazole-4-carboxamide (PubChem CID 103379722) has the molecular formula C12H17N5OS2 and a molecular weight of 311.44 g/mol. Its IUPAC name is 3-amino-5-[methyl(1,3-thiazol-4-ylmethyl)amino]-N-propan-2-yl-1,2-thiazole-4-carboxamide.

Molecular Properties

Compound Name3-amino-5-[methyl(1,3-thiazol-4-ylmethyl)amino]-N-propan-2-yl-1,2-thiazole-4-carboxamide
PubChem CID103379722
Molecular FormulaC12H17N5OS2
Molecular Weight311.44 g/mol
Exact Mass311.09
IUPAC Name3-amino-5-[methyl(1,3-thiazol-4-ylmethyl)amino]-N-propan-2-yl-1,2-thiazole-4-carboxamide
SMILESCC(C)NC(=O)c1c(N)nsc1N(C)Cc1cscn1
InChIInChI=1S/C12H17N5OS2/c1-7(2)15-11(18)9-10(13)16-20-12(9)17(3)4-8-5-19-6-14-8/h5-7H,4H2,1-3H3,(H2,13,16)(H,15,18)
InChIKeyOFQOPINAQKVFJR-UHFFFAOYSA-N
XLogP1.96
TPSA84.14 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.44
LogP ≤ 51.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 3-amino-5-[methyl(1,3-thiazol-4-ylmethyl)amino]-N-propan-2-yl-1,2-thiazole-4-carboxamide 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

3-amino-N-cyclopropyl-5-[methyl(1,3-thiazol-4-ylmethyl)amino]-1,2-thiazole-4-carboxamide
CID 103379718
3-amino-5-[benzyl(methyl)amino]-N-propan-2-yl-1,2-thiazole-4-carboxamide
CID 103381363
3-amino-5-[methyl(propyl)amino]-N-propan-2-yl-1,2-thiazole-4-carboxamide
CID 103381563
3-amino-5-[methyl(thiophen-2-ylmethyl)amino]-N-propan-2-yl-1,2-thiazole-4-carboxamide
CID 103379422
3-amino-5-[cyclopentylmethyl(methyl)amino]-N-propan-2-yl-1,2-thiazole-4-carboxamide
CID 103381902
3-amino-5-(diethylamino)-N-propan-2-yl-1,2-thiazole-4-carboxamide
CID 103381087
3-amino-5-[cyclopropyl(methyl)amino]-N-propan-2-yl-1,2-thiazole-4-carboxamide
CID 103381469
3-amino-5-[methyl(2-methylbutan-2-yl)amino]-N-propan-2-yl-1,2-thiazole-4-carboxamide
CID 103382005
3-amino-5-[[2-(dimethylamino)-2-oxoethyl]-ethylamino]-N-propan-2-yl-1,2-thiazole-4-carboxamide
CID 103380447
methyl 3-amino-5-[methyl-[(2-methyl-1,3-thiazol-4-yl)methyl]amino]-1,2-thiazole-4-carboxylate
CID 103380339
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
3-amino-5-[cyclopropylmethyl(propan-2-yl)amino]-N-propan-2-yl-1,2-thiazole-4-carboxamide
CID 103380759

Frequently Asked Questions

What is the IUPAC name of 3-amino-5-[methyl(1,3-thiazol-4-ylmethyl)amino]-N-propan-2-yl-1,2-thiazole-4-carboxamide?
The IUPAC name of 3-amino-5-[methyl(1,3-thiazol-4-ylmethyl)amino]-N-propan-2-yl-1,2-thiazole-4-carboxamide (CID 103379722) is 3-amino-5-[methyl(1,3-thiazol-4-ylmethyl)amino]-N-propan-2-yl-1,2-thiazole-4-carboxamide.
What is the SMILES notation for 3-amino-5-[methyl(1,3-thiazol-4-ylmethyl)amino]-N-propan-2-yl-1,2-thiazole-4-carboxamide?
The canonical SMILES for 3-amino-5-[methyl(1,3-thiazol-4-ylmethyl)amino]-N-propan-2-yl-1,2-thiazole-4-carboxamide is CC(C)NC(=O)c1c(N)nsc1N(C)Cc1cscn1.
What is the InChIKey of 3-amino-5-[methyl(1,3-thiazol-4-ylmethyl)amino]-N-propan-2-yl-1,2-thiazole-4-carboxamide?
The InChIKey is OFQOPINAQKVFJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N5OS2/c1-7(2)15-11(18)9-10(13)16-20-12(9)17(3)4-8-5-19-6-14-8/h5-7H,4H2,1-3H3,(H2,13,16)(H,15,18).
What are the key properties of 3-amino-5-[methyl(1,3-thiazol-4-ylmethyl)amino]-N-propan-2-yl-1,2-thiazole-4-carboxamide?
3-amino-5-[methyl(1,3-thiazol-4-ylmethyl)amino]-N-propan-2-yl-1,2-thiazole-4-carboxamide has a molecular weight of 311.44 g/mol, XLogP of 1.96, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-5-[methyl(1,3-thiazol-4-ylmethyl)amino]-N-propan-2-yl-1,2-thiazole-4-carboxamide is sourced from PubChem (CID 103379722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).