3-amino-5-(1-hydroxybutan-2-ylamino)-N-methyl-1,2-thiazole-4-carboxamide

C9H16N4O2S — CID 103382875

IUPAC3-amino-5-(1-hydroxybutan-2-ylamino)-N-methyl-1,2-thiazole-4-carboxamide
SMILESCCC(CO)Nc1snc(N)c1C(=O)NC
InChIInChI=1S/C9H16N4O2S/c1-3-5(4-14)12-9-6(8(15)11-2)7(10)13-16-9/h5,12,14H,3-4H2,1-2H3,(H2,10,13)(H,11,15)
InChIKeyZRVIWFWUHPWTSW-UHFFFAOYSA-N
MW244.32 g/mol
LogP0.27
Rot. Bonds5

About 3-amino-5-(1-hydroxybutan-2-ylamino)-N-methyl-1,2-thiazole-4-carboxamide

3-amino-5-(1-hydroxybutan-2-ylamino)-N-methyl-1,2-thiazole-4-carboxamide (PubChem CID 103382875) has the molecular formula C9H16N4O2S and a molecular weight of 244.32 g/mol. Its IUPAC name is 3-amino-5-(1-hydroxybutan-2-ylamino)-N-methyl-1,2-thiazole-4-carboxamide.

Molecular Properties

Compound Name3-amino-5-(1-hydroxybutan-2-ylamino)-N-methyl-1,2-thiazole-4-carboxamide
PubChem CID103382875
Molecular FormulaC9H16N4O2S
Molecular Weight244.32 g/mol
Exact Mass244.10
IUPAC Name3-amino-5-(1-hydroxybutan-2-ylamino)-N-methyl-1,2-thiazole-4-carboxamide
SMILESCCC(CO)Nc1snc(N)c1C(=O)NC
InChIInChI=1S/C9H16N4O2S/c1-3-5(4-14)12-9-6(8(15)11-2)7(10)13-16-9/h5,12,14H,3-4H2,1-2H3,(H2,10,13)(H,11,15)
InChIKeyZRVIWFWUHPWTSW-UHFFFAOYSA-N
XLogP0.27
TPSA100.27 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.32
LogP ≤ 50.27
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Related Compounds

3-amino-5-[[1-(diethylamino)-1-oxopropan-2-yl]amino]-N-methyl-1,2-thiazole-4-carboxamide
CID 103383996
2-[(3-amino-4-methoxy-1,2-thiazol-5-yl)amino]butan-1-ol
CID 103382876
methyl 3-amino-5-[(1-hydroxy-4-methoxybutan-2-yl)amino]-1,2-thiazole-4-carboxylate
CID 114212341
3-amino-N-methyl-5-[[1-(2-methylpropylamino)-1-oxopropan-2-yl]amino]-1,2-thiazole-4-carboxamide
CID 103383950
3-amino-5-[5-(diethylamino)pentan-2-ylamino]-N-methyl-1,2-thiazole-4-carboxamide
CID 103382511
3-amino-5-(3-hydroxypropylamino)-N-methyl-1,2-thiazole-4-carboxamide
CID 103382715
3-amino-N-methyl-5-(2,2,2-trifluoroethylamino)-1,2-thiazole-4-carboxamide
CID 103382526
3-amino-5-[[2-ethyl-2-(hydroxymethyl)butyl]amino]-N-methyl-1,2-thiazole-4-carboxamide
CID 106259045
3-amino-5-(2-methoxyethylamino)-N-methyl-1,2-thiazole-4-carboxamide
CID 103382263
3-amino-N-methyl-5-(4-phenylbutan-2-ylamino)-1,2-thiazole-4-carboxamide
CID 103379230
3-amino-5-(cyclopropylamino)-N-methyl-1,2-thiazole-4-carboxamide
CID 103382283
3-amino-5-(2,2-dicyclopropylethylamino)-N-methyl-1,2-thiazole-4-carboxamide
CID 103378938

Frequently Asked Questions

What is the IUPAC name of 3-amino-5-(1-hydroxybutan-2-ylamino)-N-methyl-1,2-thiazole-4-carboxamide?
The IUPAC name of 3-amino-5-(1-hydroxybutan-2-ylamino)-N-methyl-1,2-thiazole-4-carboxamide (CID 103382875) is 3-amino-5-(1-hydroxybutan-2-ylamino)-N-methyl-1,2-thiazole-4-carboxamide.
What is the SMILES notation for 3-amino-5-(1-hydroxybutan-2-ylamino)-N-methyl-1,2-thiazole-4-carboxamide?
The canonical SMILES for 3-amino-5-(1-hydroxybutan-2-ylamino)-N-methyl-1,2-thiazole-4-carboxamide is CCC(CO)Nc1snc(N)c1C(=O)NC.
What is the InChIKey of 3-amino-5-(1-hydroxybutan-2-ylamino)-N-methyl-1,2-thiazole-4-carboxamide?
The InChIKey is ZRVIWFWUHPWTSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N4O2S/c1-3-5(4-14)12-9-6(8(15)11-2)7(10)13-16-9/h5,12,14H,3-4H2,1-2H3,(H2,10,13)(H,11,15).
What are the key properties of 3-amino-5-(1-hydroxybutan-2-ylamino)-N-methyl-1,2-thiazole-4-carboxamide?
3-amino-5-(1-hydroxybutan-2-ylamino)-N-methyl-1,2-thiazole-4-carboxamide has a molecular weight of 244.32 g/mol, XLogP of 0.27, 5 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-5-(1-hydroxybutan-2-ylamino)-N-methyl-1,2-thiazole-4-carboxamide is sourced from PubChem (CID 103382875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).