3-amino-5-(1H-imidazol-5-ylmethylamino)-N-methyl-1,2-thiazole-4-carboxamide

C9H12N6OS — CID 103378956

IUPAC3-amino-5-(1H-imidazol-5-ylmethylamino)-N-methyl-1,2-thiazole-4-carboxamide
SMILESCNC(=O)c1c(N)nsc1NCc1cnc[nH]1
InChIInChI=1S/C9H12N6OS/c1-11-8(16)6-7(10)15-17-9(6)13-3-5-2-12-4-14-5/h2,4,13H,3H2,1H3,(H2,10,15)(H,11,16)(H,12,14)
InChIKeyHYNCHNGGGDNTBA-UHFFFAOYSA-N
MW252.30 g/mol
LogP0.42
Rot. Bonds4

About 3-amino-5-(1H-imidazol-5-ylmethylamino)-N-methyl-1,2-thiazole-4-carboxamide

3-amino-5-(1H-imidazol-5-ylmethylamino)-N-methyl-1,2-thiazole-4-carboxamide (PubChem CID 103378956) has the molecular formula C9H12N6OS and a molecular weight of 252.30 g/mol. Its IUPAC name is 3-amino-5-(1H-imidazol-5-ylmethylamino)-N-methyl-1,2-thiazole-4-carboxamide.

Molecular Properties

Compound Name3-amino-5-(1H-imidazol-5-ylmethylamino)-N-methyl-1,2-thiazole-4-carboxamide
PubChem CID103378956
Molecular FormulaC9H12N6OS
Molecular Weight252.30 g/mol
Exact Mass252.08
IUPAC Name3-amino-5-(1H-imidazol-5-ylmethylamino)-N-methyl-1,2-thiazole-4-carboxamide
SMILESCNC(=O)c1c(N)nsc1NCc1cnc[nH]1
InChIInChI=1S/C9H12N6OS/c1-11-8(16)6-7(10)15-17-9(6)13-3-5-2-12-4-14-5/h2,4,13H,3H2,1H3,(H2,10,15)(H,11,16)(H,12,14)
InChIKeyHYNCHNGGGDNTBA-UHFFFAOYSA-N
XLogP0.42
TPSA108.72 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.30
LogP ≤ 50.42
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Related Compounds

3-amino-5-[(6-methoxy-3-pyridinyl)methylamino]-N-methyl-1,2-thiazole-4-carboxamide
CID 103380109
3-amino-5-(2-methoxyethylamino)-N-methyl-1,2-thiazole-4-carboxamide
CID 103382263
3-amino-5-(3-hydroxypropylamino)-N-methyl-1,2-thiazole-4-carboxamide
CID 103382715
3-amino-N-methyl-5-[(2-methyl-3-methylsulfanylpropyl)amino]-1,2-thiazole-4-carboxamide
CID 103381250
3-amino-5-[(3,5-dimethyl-1,2-oxazol-4-yl)methylamino]-N-methyl-1,2-thiazole-4-carboxamide
CID 103378181
5-N-(1H-imidazol-5-ylmethyl)-4-(4-methyl-1,3-thiazol-2-yl)-1,2-thiazole-3,5-diamine
CID 103348958
3-amino-5-(cyclopentylmethylamino)-N-methyl-1,2-thiazole-4-carboxamide
CID 103382838
3-amino-N-methyl-5-[(1-methylcyclopentyl)methylamino]-1,2-thiazole-4-carboxamide
CID 103380656
3-amino-5-[[2-ethyl-2-(hydroxymethyl)butyl]amino]-N-methyl-1,2-thiazole-4-carboxamide
CID 106259045
3-(1H-imidazol-5-ylmethylamino)-N,4-dimethylbenzamide
CID 55109073
3-amino-N-methyl-5-[2-(4-methyl-1,2,4-triazol-3-yl)ethylamino]-1,2-thiazole-4-carboxamide
CID 103380246
3-amino-N-methyl-5-(2-thiomorpholin-4-ylethylamino)-1,2-thiazole-4-carboxamide
CID 106327720

Frequently Asked Questions

What is the IUPAC name of 3-amino-5-(1H-imidazol-5-ylmethylamino)-N-methyl-1,2-thiazole-4-carboxamide?
The IUPAC name of 3-amino-5-(1H-imidazol-5-ylmethylamino)-N-methyl-1,2-thiazole-4-carboxamide (CID 103378956) is 3-amino-5-(1H-imidazol-5-ylmethylamino)-N-methyl-1,2-thiazole-4-carboxamide.
What is the SMILES notation for 3-amino-5-(1H-imidazol-5-ylmethylamino)-N-methyl-1,2-thiazole-4-carboxamide?
The canonical SMILES for 3-amino-5-(1H-imidazol-5-ylmethylamino)-N-methyl-1,2-thiazole-4-carboxamide is CNC(=O)c1c(N)nsc1NCc1cnc[nH]1.
What is the InChIKey of 3-amino-5-(1H-imidazol-5-ylmethylamino)-N-methyl-1,2-thiazole-4-carboxamide?
The InChIKey is HYNCHNGGGDNTBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N6OS/c1-11-8(16)6-7(10)15-17-9(6)13-3-5-2-12-4-14-5/h2,4,13H,3H2,1H3,(H2,10,15)(H,11,16)(H,12,14).
What are the key properties of 3-amino-5-(1H-imidazol-5-ylmethylamino)-N-methyl-1,2-thiazole-4-carboxamide?
3-amino-5-(1H-imidazol-5-ylmethylamino)-N-methyl-1,2-thiazole-4-carboxamide has a molecular weight of 252.30 g/mol, XLogP of 0.42, 4 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-5-(1H-imidazol-5-ylmethylamino)-N-methyl-1,2-thiazole-4-carboxamide is sourced from PubChem (CID 103378956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).