3-amino-5-[(1-cyclopropylpyrrolidin-3-yl)amino]-N-methyl-1,2-thiazole-4-carboxamide

C12H19N5OS — CID 103379283

IUPAC3-amino-5-[(1-cyclopropylpyrrolidin-3-yl)amino]-N-methyl-1,2-thiazole-4-carboxamide
SMILESCNC(=O)c1c(N)nsc1NC1CCN(C2CC2)C1
InChIInChI=1S/C12H19N5OS/c1-14-11(18)9-10(13)16-19-12(9)15-7-4-5-17(6-7)8-2-3-8/h7-8,15H,2-6H2,1H3,(H2,13,16)(H,14,18)
InChIKeyDOCVBTZNFJAHQF-UHFFFAOYSA-N
MW281.38 g/mol
LogP0.73
Rot. Bonds4

About 3-amino-5-[(1-cyclopropylpyrrolidin-3-yl)amino]-N-methyl-1,2-thiazole-4-carboxamide

3-amino-5-[(1-cyclopropylpyrrolidin-3-yl)amino]-N-methyl-1,2-thiazole-4-carboxamide (PubChem CID 103379283) has the molecular formula C12H19N5OS and a molecular weight of 281.38 g/mol. Its IUPAC name is 3-amino-5-[(1-cyclopropylpyrrolidin-3-yl)amino]-N-methyl-1,2-thiazole-4-carboxamide.

Molecular Properties

Compound Name3-amino-5-[(1-cyclopropylpyrrolidin-3-yl)amino]-N-methyl-1,2-thiazole-4-carboxamide
PubChem CID103379283
Molecular FormulaC12H19N5OS
Molecular Weight281.38 g/mol
Exact Mass281.13
IUPAC Name3-amino-5-[(1-cyclopropylpyrrolidin-3-yl)amino]-N-methyl-1,2-thiazole-4-carboxamide
SMILESCNC(=O)c1c(N)nsc1NC1CCN(C2CC2)C1
InChIInChI=1S/C12H19N5OS/c1-14-11(18)9-10(13)16-19-12(9)15-7-4-5-17(6-7)8-2-3-8/h7-8,15H,2-6H2,1H3,(H2,13,16)(H,14,18)
InChIKeyDOCVBTZNFJAHQF-UHFFFAOYSA-N
XLogP0.73
TPSA83.28 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.38
LogP ≤ 50.73
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

3-amino-5-(cyclopropylamino)-N-methyl-1,2-thiazole-4-carboxamide
CID 103382283
5-N-(1-cyclopropylpyrrolidin-3-yl)-4-methyl-1,2-thiazole-3,5-diamine
CID 103360274
3-amino-5-[(1-ethylpiperidin-3-yl)amino]-N-methyl-1,2-thiazole-4-carboxamide
CID 103378417
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
5-N-(1-cyclopropylpyrrolidin-3-yl)-4-(4-methyl-1,3-thiazol-2-yl)-1,2-thiazole-3,5-diamine
CID 103349002
3-amino-5-[(1-methylpiperidin-3-yl)amino]-1,2-thiazole-4-carboxamide
CID 103378455
ethyl 3-amino-5-[(1-cyclopropylpyrrolidin-3-yl)methylamino]-1,2-thiazole-4-carboxylate
CID 103383041
methyl 3-amino-5-[(1-methylpiperidin-3-yl)amino]-1,2-thiazole-4-carboxylate
CID 103378458
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
methyl 3-amino-5-[(1-ethylpiperidin-3-yl)amino]-1,2-thiazole-4-carboxylate
CID 103378414

Frequently Asked Questions

What is the IUPAC name of 3-amino-5-[(1-cyclopropylpyrrolidin-3-yl)amino]-N-methyl-1,2-thiazole-4-carboxamide?
The IUPAC name of 3-amino-5-[(1-cyclopropylpyrrolidin-3-yl)amino]-N-methyl-1,2-thiazole-4-carboxamide (CID 103379283) is 3-amino-5-[(1-cyclopropylpyrrolidin-3-yl)amino]-N-methyl-1,2-thiazole-4-carboxamide.
What is the SMILES notation for 3-amino-5-[(1-cyclopropylpyrrolidin-3-yl)amino]-N-methyl-1,2-thiazole-4-carboxamide?
The canonical SMILES for 3-amino-5-[(1-cyclopropylpyrrolidin-3-yl)amino]-N-methyl-1,2-thiazole-4-carboxamide is CNC(=O)c1c(N)nsc1NC1CCN(C2CC2)C1.
What is the InChIKey of 3-amino-5-[(1-cyclopropylpyrrolidin-3-yl)amino]-N-methyl-1,2-thiazole-4-carboxamide?
The InChIKey is DOCVBTZNFJAHQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N5OS/c1-14-11(18)9-10(13)16-19-12(9)15-7-4-5-17(6-7)8-2-3-8/h7-8,15H,2-6H2,1H3,(H2,13,16)(H,14,18).
What are the key properties of 3-amino-5-[(1-cyclopropylpyrrolidin-3-yl)amino]-N-methyl-1,2-thiazole-4-carboxamide?
3-amino-5-[(1-cyclopropylpyrrolidin-3-yl)amino]-N-methyl-1,2-thiazole-4-carboxamide has a molecular weight of 281.38 g/mol, XLogP of 0.73, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-5-[(1-cyclopropylpyrrolidin-3-yl)amino]-N-methyl-1,2-thiazole-4-carboxamide is sourced from PubChem (CID 103379283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).