4-amino-N-[1-(hydroxymethyl)cyclopropyl]-2-(methylamino)-1,3-thiazole-5-carboxamide

C9H14N4O2S — CID 116673986

IUPAC4-amino-N-[1-(hydroxymethyl)cyclopropyl]-2-(methylamino)-1,3-thiazole-5-carboxamide
SMILESCNc1nc(N)c(C(=O)NC2(CO)CC2)s1
InChIInChI=1S/C9H14N4O2S/c1-11-8-12-6(10)5(16-8)7(15)13-9(4-14)2-3-9/h14H,2-4,10H2,1H3,(H,11,12)(H,13,15)
InChIKeyBRHOFRRMOIZEOT-UHFFFAOYSA-N
MW242.30 g/mol
LogP0.02
Rot. Bonds4

About 4-amino-N-[1-(hydroxymethyl)cyclopropyl]-2-(methylamino)-1,3-thiazole-5-carboxamide

4-amino-N-[1-(hydroxymethyl)cyclopropyl]-2-(methylamino)-1,3-thiazole-5-carboxamide (PubChem CID 116673986) has the molecular formula C9H14N4O2S and a molecular weight of 242.30 g/mol. Its IUPAC name is 4-amino-N-[1-(hydroxymethyl)cyclopropyl]-2-(methylamino)-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name4-amino-N-[1-(hydroxymethyl)cyclopropyl]-2-(methylamino)-1,3-thiazole-5-carboxamide
PubChem CID116673986
Molecular FormulaC9H14N4O2S
Molecular Weight242.30 g/mol
Exact Mass242.08
IUPAC Name4-amino-N-[1-(hydroxymethyl)cyclopropyl]-2-(methylamino)-1,3-thiazole-5-carboxamide
SMILESCNc1nc(N)c(C(=O)NC2(CO)CC2)s1
InChIInChI=1S/C9H14N4O2S/c1-11-8-12-6(10)5(16-8)7(15)13-9(4-14)2-3-9/h14H,2-4,10H2,1H3,(H,11,12)(H,13,15)
InChIKeyBRHOFRRMOIZEOT-UHFFFAOYSA-N
XLogP0.02
TPSA100.27 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.30
LogP ≤ 50.02
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Related Compounds

4-amino-2-(cyclobutylamino)-N-[1-(hydroxymethyl)cyclobutyl]-1,3-thiazole-5-carboxamide
CID 116673864
4-amino-N-[1-(hydroxymethyl)cyclopropyl]-2-piperazin-1-yl-1,3-thiazole-5-carboxamide
CID 116673985
4-amino-N-(3-hydroxypropyl)-2-(methylamino)-1,3-thiazole-5-carboxamide
CID 116665439
4-amino-2-(methylamino)-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]-1,3-thiazole-5-carboxamide
CID 116671150
4-amino-N-(1-methylcyclopropyl)-2-(propan-2-ylamino)-1,3-thiazole-5-carboxamide
CID 116672710
4-amino-2-(methylamino)-N-(2,4,4-trimethylpentan-2-yl)-1,3-thiazole-5-carboxamide
CID 116664607
4-amino-N-(2-cyclopropylethyl)-2-(methylamino)-1,3-thiazole-5-carboxamide
CID 116667308
4-amino-2-(methylamino)-N-(3-methyl-2-propan-2-ylbutyl)-1,3-thiazole-5-carboxamide
CID 102909085
4-amino-N-[2-(hydroxymethyl)cyclohexyl]-2-(methylamino)-1,3-thiazole-5-carboxamide
CID 106368446
4-amino-N-(5-amino-5-oxopentyl)-2-(methylamino)-1,3-thiazole-5-carboxamide
CID 106242070
4-amino-N-(4-iodophenyl)-2-(methylamino)-1,3-thiazole-5-carboxamide
CID 116669239
4-amino-2-(methylamino)-N-thiophen-3-yl-1,3-thiazole-5-carboxamide
CID 116671061

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[1-(hydroxymethyl)cyclopropyl]-2-(methylamino)-1,3-thiazole-5-carboxamide?
The IUPAC name of 4-amino-N-[1-(hydroxymethyl)cyclopropyl]-2-(methylamino)-1,3-thiazole-5-carboxamide (CID 116673986) is 4-amino-N-[1-(hydroxymethyl)cyclopropyl]-2-(methylamino)-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 4-amino-N-[1-(hydroxymethyl)cyclopropyl]-2-(methylamino)-1,3-thiazole-5-carboxamide?
The canonical SMILES for 4-amino-N-[1-(hydroxymethyl)cyclopropyl]-2-(methylamino)-1,3-thiazole-5-carboxamide is CNc1nc(N)c(C(=O)NC2(CO)CC2)s1.
What is the InChIKey of 4-amino-N-[1-(hydroxymethyl)cyclopropyl]-2-(methylamino)-1,3-thiazole-5-carboxamide?
The InChIKey is BRHOFRRMOIZEOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N4O2S/c1-11-8-12-6(10)5(16-8)7(15)13-9(4-14)2-3-9/h14H,2-4,10H2,1H3,(H,11,12)(H,13,15).
What are the key properties of 4-amino-N-[1-(hydroxymethyl)cyclopropyl]-2-(methylamino)-1,3-thiazole-5-carboxamide?
4-amino-N-[1-(hydroxymethyl)cyclopropyl]-2-(methylamino)-1,3-thiazole-5-carboxamide has a molecular weight of 242.30 g/mol, XLogP of 0.02, 4 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[1-(hydroxymethyl)cyclopropyl]-2-(methylamino)-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 116673986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).