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

C8H12N4OS — CID 103382283

IUPAC3-amino-5-(cyclopropylamino)-N-methyl-1,2-thiazole-4-carboxamide
SMILESCNC(=O)c1c(N)nsc1NC1CC1
InChIInChI=1S/C8H12N4OS/c1-10-7(13)5-6(9)12-14-8(5)11-4-2-3-4/h4,11H,2-3H2,1H3,(H2,9,12)(H,10,13)
InChIKeyMMPVAAGQBXYHHI-UHFFFAOYSA-N
MW212.28 g/mol
LogP0.66
Rot. Bonds3

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

3-amino-5-(cyclopropylamino)-N-methyl-1,2-thiazole-4-carboxamide (PubChem CID 103382283) has the molecular formula C8H12N4OS and a molecular weight of 212.28 g/mol. Its IUPAC name is 3-amino-5-(cyclopropylamino)-N-methyl-1,2-thiazole-4-carboxamide.

Molecular Properties

Compound Name3-amino-5-(cyclopropylamino)-N-methyl-1,2-thiazole-4-carboxamide
PubChem CID103382283
Molecular FormulaC8H12N4OS
Molecular Weight212.28 g/mol
Exact Mass212.07
IUPAC Name3-amino-5-(cyclopropylamino)-N-methyl-1,2-thiazole-4-carboxamide
SMILESCNC(=O)c1c(N)nsc1NC1CC1
InChIInChI=1S/C8H12N4OS/c1-10-7(13)5-6(9)12-14-8(5)11-4-2-3-4/h4,11H,2-3H2,1H3,(H2,9,12)(H,10,13)
InChIKeyMMPVAAGQBXYHHI-UHFFFAOYSA-N
XLogP0.66
TPSA80.04 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.28
LogP ≤ 50.66
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

3-amino-5-[(3,3-dimethylcyclopentyl)amino]-N-methyl-1,2-thiazole-4-carboxamide
CID 103384518
3-amino-N-methyl-5-[(2-methyloxan-4-yl)amino]-1,2-thiazole-4-carboxamide
CID 114110163
3-amino-5-[(1-cyclopropylpyrrolidin-3-yl)amino]-N-methyl-1,2-thiazole-4-carboxamide
CID 103379283
3-amino-5-(cyclooctylamino)-N-cyclopropyl-1,2-thiazole-4-carboxamide
CID 103382473
3-amino-5-[(1-ethylpiperidin-3-yl)amino]-N-methyl-1,2-thiazole-4-carboxamide
CID 103378417
3-amino-5-(cyclopentylmethylamino)-N-methyl-1,2-thiazole-4-carboxamide
CID 103382838
3-amino-5-(2,2-dicyclopropylethylamino)-N-methyl-1,2-thiazole-4-carboxamide
CID 103378938
3-amino-N-cyclopropyl-5-[(2-methylcyclopentyl)amino]-1,2-thiazole-4-carboxamide
CID 103380188
3-amino-5-[(3-hydroxycyclopentyl)methylamino]-N-methyl-1,2-thiazole-4-carboxamide
CID 114148740
3-amino-N-methyl-5-[(2-methyloxolan-3-yl)methylamino]-1,2-thiazole-4-carboxamide
CID 114107010
3-amino-N-methyl-5-(2,2,2-trifluoroethylamino)-1,2-thiazole-4-carboxamide
CID 103382526
3-amino-5-(3-hydroxypropylamino)-N-methyl-1,2-thiazole-4-carboxamide
CID 103382715

Frequently Asked Questions

What is the IUPAC name of 3-amino-5-(cyclopropylamino)-N-methyl-1,2-thiazole-4-carboxamide?
The IUPAC name of 3-amino-5-(cyclopropylamino)-N-methyl-1,2-thiazole-4-carboxamide (CID 103382283) is 3-amino-5-(cyclopropylamino)-N-methyl-1,2-thiazole-4-carboxamide.
What is the SMILES notation for 3-amino-5-(cyclopropylamino)-N-methyl-1,2-thiazole-4-carboxamide?
The canonical SMILES for 3-amino-5-(cyclopropylamino)-N-methyl-1,2-thiazole-4-carboxamide is CNC(=O)c1c(N)nsc1NC1CC1.
What is the InChIKey of 3-amino-5-(cyclopropylamino)-N-methyl-1,2-thiazole-4-carboxamide?
The InChIKey is MMPVAAGQBXYHHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N4OS/c1-10-7(13)5-6(9)12-14-8(5)11-4-2-3-4/h4,11H,2-3H2,1H3,(H2,9,12)(H,10,13).
What are the key properties of 3-amino-5-(cyclopropylamino)-N-methyl-1,2-thiazole-4-carboxamide?
3-amino-5-(cyclopropylamino)-N-methyl-1,2-thiazole-4-carboxamide has a molecular weight of 212.28 g/mol, XLogP of 0.66, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-5-(cyclopropylamino)-N-methyl-1,2-thiazole-4-carboxamide is sourced from PubChem (CID 103382283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).