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

C8H14N4OS — CID 116667734

IUPAC4-amino-N-methyl-2-(propan-2-ylamino)-1,3-thiazole-5-carboxamide
SMILESCNC(=O)c1sc(NC(C)C)nc1N
InChIInChI=1S/C8H14N4OS/c1-4(2)11-8-12-6(9)5(14-8)7(13)10-3/h4H,9H2,1-3H3,(H,10,13)(H,11,12)
InChIKeyJOQCMMVEYYENEZ-UHFFFAOYSA-N
MW214.29 g/mol
LogP0.91
Rot. Bonds3

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

4-amino-N-methyl-2-(propan-2-ylamino)-1,3-thiazole-5-carboxamide (PubChem CID 116667734) has the molecular formula C8H14N4OS and a molecular weight of 214.29 g/mol. Its IUPAC name is 4-amino-N-methyl-2-(propan-2-ylamino)-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name4-amino-N-methyl-2-(propan-2-ylamino)-1,3-thiazole-5-carboxamide
PubChem CID116667734
Molecular FormulaC8H14N4OS
Molecular Weight214.29 g/mol
Exact Mass214.09
IUPAC Name4-amino-N-methyl-2-(propan-2-ylamino)-1,3-thiazole-5-carboxamide
SMILESCNC(=O)c1sc(NC(C)C)nc1N
InChIInChI=1S/C8H14N4OS/c1-4(2)11-8-12-6(9)5(14-8)7(13)10-3/h4H,9H2,1-3H3,(H,10,13)(H,11,12)
InChIKeyJOQCMMVEYYENEZ-UHFFFAOYSA-N
XLogP0.91
TPSA80.04 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.29
LogP ≤ 50.91
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

4-amino-N-(1-methylcyclopropyl)-2-(propan-2-ylamino)-1,3-thiazole-5-carboxamide
CID 116672710
methyl 4-amino-2-(propan-2-ylamino)-1,3-thiazole-5-carboxylate
CID 116674032
4-amino-N-(6-methylheptan-2-yl)-2-(propan-2-ylamino)-1,3-thiazole-5-carboxamide
CID 116663763
4-amino-N-(5-methylhexan-2-yl)-2-(propan-2-ylamino)-1,3-thiazole-5-carboxamide
CID 116666471
4-amino-N-[2-(carbamoylamino)ethyl]-2-(propan-2-ylamino)-1,3-thiazole-5-carboxamide
CID 116672310
4-amino-N-(1-cyclopropylethyl)-2-(propan-2-ylamino)-1,3-thiazole-5-carboxamide
CID 116669993
4-amino-N-(3-methylpentan-2-yl)-2-(propan-2-ylamino)-1,3-thiazole-5-carboxamide
CID 116663625
4-amino-2-(propan-2-ylamino)-N-(2,3,3-trimethylbutyl)-1,3-thiazole-5-carboxamide
CID 116672284
2-[[4-amino-2-(propan-2-ylamino)-1,3-thiazole-5-carbonyl]amino]ethyl carbamate
CID 116672206
4-amino-N-(5-amino-5-oxopentyl)-2-(propan-2-ylamino)-1,3-thiazole-5-carboxamide
CID 106242061
4-amino-N-(1-phenylethyl)-2-(propan-2-ylamino)-1,3-thiazole-5-carboxamide
CID 116667931
[4-amino-2-(propan-2-ylamino)-1,3-thiazol-5-yl]-(azepan-1-yl)methanone
CID 116667849

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-methyl-2-(propan-2-ylamino)-1,3-thiazole-5-carboxamide?
The IUPAC name of 4-amino-N-methyl-2-(propan-2-ylamino)-1,3-thiazole-5-carboxamide (CID 116667734) is 4-amino-N-methyl-2-(propan-2-ylamino)-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 4-amino-N-methyl-2-(propan-2-ylamino)-1,3-thiazole-5-carboxamide?
The canonical SMILES for 4-amino-N-methyl-2-(propan-2-ylamino)-1,3-thiazole-5-carboxamide is CNC(=O)c1sc(NC(C)C)nc1N.
What is the InChIKey of 4-amino-N-methyl-2-(propan-2-ylamino)-1,3-thiazole-5-carboxamide?
The InChIKey is JOQCMMVEYYENEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N4OS/c1-4(2)11-8-12-6(9)5(14-8)7(13)10-3/h4H,9H2,1-3H3,(H,10,13)(H,11,12).
What are the key properties of 4-amino-N-methyl-2-(propan-2-ylamino)-1,3-thiazole-5-carboxamide?
4-amino-N-methyl-2-(propan-2-ylamino)-1,3-thiazole-5-carboxamide has a molecular weight of 214.29 g/mol, XLogP of 0.91, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-methyl-2-(propan-2-ylamino)-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 116667734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).