4-amino-2-(benzylamino)-N-piperidin-3-yl-1,3-thiazole-5-carboxamide

C16H21N5OS — CID 75092258

IUPAC4-amino-2-(benzylamino)-N-piperidin-3-yl-1,3-thiazole-5-carboxamide
SMILESNc1nc(NCc2ccccc2)sc1C(=O)NC1CCCNC1
InChIInChI=1S/C16H21N5OS/c17-14-13(15(22)20-12-7-4-8-18-10-12)23-16(21-14)19-9-11-5-2-1-3-6-11/h1-3,5-6,12,18H,4,7-10,17H2,(H,19,21)(H,20,22)
InChIKeyZPIYIOZQEFLCNU-UHFFFAOYSA-N
MW331.44 g/mol
LogP1.82
Rot. Bonds5

About 4-amino-2-(benzylamino)-N-piperidin-3-yl-1,3-thiazole-5-carboxamide

4-amino-2-(benzylamino)-N-piperidin-3-yl-1,3-thiazole-5-carboxamide (PubChem CID 75092258) has the molecular formula C16H21N5OS and a molecular weight of 331.44 g/mol. Its IUPAC name is 4-amino-2-(benzylamino)-N-piperidin-3-yl-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name4-amino-2-(benzylamino)-N-piperidin-3-yl-1,3-thiazole-5-carboxamide
PubChem CID75092258
Molecular FormulaC16H21N5OS
Molecular Weight331.44 g/mol
Exact Mass331.15
IUPAC Name4-amino-2-(benzylamino)-N-piperidin-3-yl-1,3-thiazole-5-carboxamide
SMILESNc1nc(NCc2ccccc2)sc1C(=O)NC1CCCNC1
InChIInChI=1S/C16H21N5OS/c17-14-13(15(22)20-12-7-4-8-18-10-12)23-16(21-14)19-9-11-5-2-1-3-6-11/h1-3,5-6,12,18H,4,7-10,17H2,(H,19,21)(H,20,22)
InChIKeyZPIYIOZQEFLCNU-UHFFFAOYSA-N
XLogP1.82
TPSA92.07 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.44
LogP ≤ 51.82
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Related Compounds

4-amino-2-(methylamino)-N-[(3S)-piperidin-3-yl]-1,3-thiazole-5-carboxamide
CID 45107290
4-amino-2-(4-carbamoylanilino)-N-[(3S)-piperidin-3-yl]-1,3-thiazole-5-carboxamide
CID 45107364
4-amino-2-[4-(dimethylamino)anilino]-N-piperidin-3-yl-1,3-thiazole-5-carboxamide
CID 75092259
2-benzyl-4-methyl-N-piperidin-3-yl-1,3-thiazole-5-carboxamide;dihydrochloride
CID 119424509
4-amino-N-cyclobutyl-2-(propylamino)-1,3-thiazole-5-carboxamide
CID 116665374
N-piperidin-3-ylbenzamide
CID 22017045
1-[4-amino-2-(piperidin-3-ylamino)-1,3-thiazol-5-yl]ethanone;methane
CID 157403959
4-amino-2-(tert-butylamino)-N-piperidin-4-yl-1,3-thiazole-5-carboxamide
CID 116662923
2-amino-N-piperidin-3-ylbenzamide
CID 70159342
4-amino-2-(cyclobutylamino)-N-cyclopropyl-1,3-thiazole-5-carboxamide
CID 116667658
N-[(3R)-piperidin-3-yl]-1-benzofuran-2-carboxamide
CID 93216054
4-amino-N-benzyl-2-(tert-butylamino)-1,3-thiazole-5-carboxamide
CID 116668033

Frequently Asked Questions

What is the IUPAC name of 4-amino-2-(benzylamino)-N-piperidin-3-yl-1,3-thiazole-5-carboxamide?
The IUPAC name of 4-amino-2-(benzylamino)-N-piperidin-3-yl-1,3-thiazole-5-carboxamide (CID 75092258) is 4-amino-2-(benzylamino)-N-piperidin-3-yl-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 4-amino-2-(benzylamino)-N-piperidin-3-yl-1,3-thiazole-5-carboxamide?
The canonical SMILES for 4-amino-2-(benzylamino)-N-piperidin-3-yl-1,3-thiazole-5-carboxamide is Nc1nc(NCc2ccccc2)sc1C(=O)NC1CCCNC1.
What is the InChIKey of 4-amino-2-(benzylamino)-N-piperidin-3-yl-1,3-thiazole-5-carboxamide?
The InChIKey is ZPIYIOZQEFLCNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N5OS/c17-14-13(15(22)20-12-7-4-8-18-10-12)23-16(21-14)19-9-11-5-2-1-3-6-11/h1-3,5-6,12,18H,4,7-10,17H2,(H,19,21)(H,20,22).
What are the key properties of 4-amino-2-(benzylamino)-N-piperidin-3-yl-1,3-thiazole-5-carboxamide?
4-amino-2-(benzylamino)-N-piperidin-3-yl-1,3-thiazole-5-carboxamide has a molecular weight of 331.44 g/mol, XLogP of 1.82, 5 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2-(benzylamino)-N-piperidin-3-yl-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 75092258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).