N-(4-methyl-1,3-thiazol-2-yl)-4-[(2-propan-2-ylanilino)methyl]piperidine-1-carboxamide

C20H28N4OS — CID 145485864

IUPACN-(4-methyl-1,3-thiazol-2-yl)-4-[(2-propan-2-ylanilino)methyl]piperidine-1-carboxamide
SMILESCc1csc(NC(=O)N2CCC(CNc3ccccc3C(C)C)CC2)n1
InChIInChI=1S/C20H28N4OS/c1-14(2)17-6-4-5-7-18(17)21-12-16-8-10-24(11-9-16)20(25)23-19-22-15(3)13-26-19/h4-7,13-14,16,21H,8-12H2,1-3H3,(H,22,23,25)
InChIKeyQOTDOTFFERYGON-UHFFFAOYSA-N
MW372.54 g/mol
LogP4.93
Rot. Bonds5

About N-(4-methyl-1,3-thiazol-2-yl)-4-[(2-propan-2-ylanilino)methyl]piperidine-1-carboxamide

N-(4-methyl-1,3-thiazol-2-yl)-4-[(2-propan-2-ylanilino)methyl]piperidine-1-carboxamide (PubChem CID 145485864) has the molecular formula C20H28N4OS and a molecular weight of 372.54 g/mol. Its IUPAC name is N-(4-methyl-1,3-thiazol-2-yl)-4-[(2-propan-2-ylanilino)methyl]piperidine-1-carboxamide.

Molecular Properties

Compound NameN-(4-methyl-1,3-thiazol-2-yl)-4-[(2-propan-2-ylanilino)methyl]piperidine-1-carboxamide
PubChem CID145485864
Molecular FormulaC20H28N4OS
Molecular Weight372.54 g/mol
Exact Mass372.20
IUPAC NameN-(4-methyl-1,3-thiazol-2-yl)-4-[(2-propan-2-ylanilino)methyl]piperidine-1-carboxamide
SMILESCc1csc(NC(=O)N2CCC(CNc3ccccc3C(C)C)CC2)n1
InChIInChI=1S/C20H28N4OS/c1-14(2)17-6-4-5-7-18(17)21-12-16-8-10-24(11-9-16)20(25)23-19-22-15(3)13-26-19/h4-7,13-14,16,21H,8-12H2,1-3H3,(H,22,23,25)
InChIKeyQOTDOTFFERYGON-UHFFFAOYSA-N
XLogP4.93
TPSA57.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.54
LogP ≤ 54.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-(4-methyl-1,3-thiazol-2-yl)-4-[(2-propan-2-ylanilino)methyl]piperidine-1-carboxamide with MolForge

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Related Compounds

H3B-120
CID 132355378
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4-tert-butyl-N-(2-isopropylphenyl)thiazol-2-amine
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1-Phenethyl-3-[4-(4-pyridyl)thiazol-2-yl]urea
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1-{(1R,2S)-2-[(S)-3-(4-Fluoro-benzyl)-piperidin-1-ylmethyl]-cyclohexyl}-3-(4-methyl-thiazol-2-yl)-urea
CID 11442162
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Frequently Asked Questions

What is the IUPAC name of N-(4-methyl-1,3-thiazol-2-yl)-4-[(2-propan-2-ylanilino)methyl]piperidine-1-carboxamide?
The IUPAC name of N-(4-methyl-1,3-thiazol-2-yl)-4-[(2-propan-2-ylanilino)methyl]piperidine-1-carboxamide (CID 145485864) is N-(4-methyl-1,3-thiazol-2-yl)-4-[(2-propan-2-ylanilino)methyl]piperidine-1-carboxamide.
What is the SMILES notation for N-(4-methyl-1,3-thiazol-2-yl)-4-[(2-propan-2-ylanilino)methyl]piperidine-1-carboxamide?
The canonical SMILES for N-(4-methyl-1,3-thiazol-2-yl)-4-[(2-propan-2-ylanilino)methyl]piperidine-1-carboxamide is Cc1csc(NC(=O)N2CCC(CNc3ccccc3C(C)C)CC2)n1.
What is the InChIKey of N-(4-methyl-1,3-thiazol-2-yl)-4-[(2-propan-2-ylanilino)methyl]piperidine-1-carboxamide?
The InChIKey is QOTDOTFFERYGON-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N4OS/c1-14(2)17-6-4-5-7-18(17)21-12-16-8-10-24(11-9-16)20(25)23-19-22-15(3)13-26-19/h4-7,13-14,16,21H,8-12H2,1-3H3,(H,22,23,25).
What are the key properties of N-(4-methyl-1,3-thiazol-2-yl)-4-[(2-propan-2-ylanilino)methyl]piperidine-1-carboxamide?
N-(4-methyl-1,3-thiazol-2-yl)-4-[(2-propan-2-ylanilino)methyl]piperidine-1-carboxamide has a molecular weight of 372.54 g/mol, XLogP of 4.93, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methyl-1,3-thiazol-2-yl)-4-[(2-propan-2-ylanilino)methyl]piperidine-1-carboxamide is sourced from PubChem (CID 145485864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).