4-amino-2-(4-carbamoylanilino)-N-[(3S)-piperidin-3-yl]-1,3-thiazole-5-carboxamide

C16H20N6O2S — CID 45107364

IUPAC4-amino-2-(4-carbamoylanilino)-N-[(3S)-piperidin-3-yl]-1,3-thiazole-5-carboxamide
SMILESNC(=O)c1ccc(Nc2nc(N)c(C(=O)N[C@H]3CCCNC3)s2)cc1
InChIInChI=1S/C16H20N6O2S/c17-13-12(15(24)20-11-2-1-7-19-8-11)25-16(22-13)21-10-5-3-9(4-6-10)14(18)23/h3-6,11,19H,1-2,7-8,17H2,(H2,18,23)(H,20,24)(H,21,22)/t11-/m0/s1
InChIKeyAWPAFIOELCCYIB-NSHDSACASA-N
MW360.44 g/mol
LogP1.05
Rot. Bonds5

About 4-amino-2-(4-carbamoylanilino)-N-[(3S)-piperidin-3-yl]-1,3-thiazole-5-carboxamide

4-amino-2-(4-carbamoylanilino)-N-[(3S)-piperidin-3-yl]-1,3-thiazole-5-carboxamide (PubChem CID 45107364) has the molecular formula C16H20N6O2S and a molecular weight of 360.44 g/mol. Its IUPAC name is 4-amino-2-(4-carbamoylanilino)-N-[(3S)-piperidin-3-yl]-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name4-amino-2-(4-carbamoylanilino)-N-[(3S)-piperidin-3-yl]-1,3-thiazole-5-carboxamide
PubChem CID45107364
Molecular FormulaC16H20N6O2S
Molecular Weight360.44 g/mol
Exact Mass360.14
IUPAC Name4-amino-2-(4-carbamoylanilino)-N-[(3S)-piperidin-3-yl]-1,3-thiazole-5-carboxamide
SMILESNC(=O)c1ccc(Nc2nc(N)c(C(=O)N[C@H]3CCCNC3)s2)cc1
InChIInChI=1S/C16H20N6O2S/c17-13-12(15(24)20-11-2-1-7-19-8-11)25-16(22-13)21-10-5-3-9(4-6-10)14(18)23/h3-6,11,19H,1-2,7-8,17H2,(H2,18,23)(H,20,24)(H,21,22)/t11-/m0/s1
InChIKeyAWPAFIOELCCYIB-NSHDSACASA-N
XLogP1.05
TPSA135.16 Ų
H-Bond Donors5
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.44
LogP ≤ 51.05
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 107

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Related Compounds

4-amino-2-[4-(dimethylamino)anilino]-N-piperidin-3-yl-1,3-thiazole-5-carboxamide
CID 75092259
4-amino-2-(methylamino)-N-[(3S)-piperidin-3-yl]-1,3-thiazole-5-carboxamide
CID 45107290
4-amino-2-(benzylamino)-N-piperidin-3-yl-1,3-thiazole-5-carboxamide
CID 75092258
4-amino-N-[(3S)-piperidin-3-yl]benzamide
CID 89225185
1-[4-amino-2-(piperidin-3-ylamino)-1,3-thiazol-5-yl]ethanone;methane
CID 157403959
[4-amino-2-(4-pyrrolidin-3-yloxyanilino)-1,3-thiazol-5-yl]-(3-fluoro-4-methylphenyl)methanone
CID 22641066
4-amino-2-(cyclobutylamino)-N-cyclopropyl-1,3-thiazole-5-carboxamide
CID 116667658
N-cyclopentyl-2-(4-fluoroanilino)-4-methyl-1,3-thiazole-5-carboxamide
CID 30142092
2-(2,6-dichlorophenyl)-5-[4-[[(3S)-piperidin-3-yl]carbamoyl]anilino]-1,3-oxazole-4-carboxamide
CID 71727666
2-N-piperidin-3-ylthiophene-2,4-dicarboxamide;hydrochloride
CID 119427834
4-amino-2-(tert-butylamino)-N-piperidin-4-yl-1,3-thiazole-5-carboxamide
CID 116662923
4-[2-oxo-2-(piperidin-3-ylamino)ethoxy]benzamide
CID 119426792

Frequently Asked Questions

What is the IUPAC name of 4-amino-2-(4-carbamoylanilino)-N-[(3S)-piperidin-3-yl]-1,3-thiazole-5-carboxamide?
The IUPAC name of 4-amino-2-(4-carbamoylanilino)-N-[(3S)-piperidin-3-yl]-1,3-thiazole-5-carboxamide (CID 45107364) is 4-amino-2-(4-carbamoylanilino)-N-[(3S)-piperidin-3-yl]-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 4-amino-2-(4-carbamoylanilino)-N-[(3S)-piperidin-3-yl]-1,3-thiazole-5-carboxamide?
The canonical SMILES for 4-amino-2-(4-carbamoylanilino)-N-[(3S)-piperidin-3-yl]-1,3-thiazole-5-carboxamide is NC(=O)c1ccc(Nc2nc(N)c(C(=O)N[C@H]3CCCNC3)s2)cc1.
What is the InChIKey of 4-amino-2-(4-carbamoylanilino)-N-[(3S)-piperidin-3-yl]-1,3-thiazole-5-carboxamide?
The InChIKey is AWPAFIOELCCYIB-NSHDSACASA-N. The full InChI is InChI=1S/C16H20N6O2S/c17-13-12(15(24)20-11-2-1-7-19-8-11)25-16(22-13)21-10-5-3-9(4-6-10)14(18)23/h3-6,11,19H,1-2,7-8,17H2,(H2,18,23)(H,20,24)(H,21,22)/t11-/m0/s1.
What are the key properties of 4-amino-2-(4-carbamoylanilino)-N-[(3S)-piperidin-3-yl]-1,3-thiazole-5-carboxamide?
4-amino-2-(4-carbamoylanilino)-N-[(3S)-piperidin-3-yl]-1,3-thiazole-5-carboxamide has a molecular weight of 360.44 g/mol, XLogP of 1.05, 5 rotatable bonds, 5 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2-(4-carbamoylanilino)-N-[(3S)-piperidin-3-yl]-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 45107364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).