N-[2-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-4-[(1-methylpyrazole-4-carbonyl)amino]piperidine-1-carboxamide

C18H26N6O2S — CID 75462711

IUPACN-[2-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-4-[(1-methylpyrazole-4-carbonyl)amino]piperidine-1-carboxamide
SMILESCc1nc(C)c(CCNC(=O)N2CCC(NC(=O)c3cnn(C)c3)CC2)s1
InChIInChI=1S/C18H26N6O2S/c1-12-16(27-13(2)21-12)4-7-19-18(26)24-8-5-15(6-9-24)22-17(25)14-10-20-23(3)11-14/h10-11,15H,4-9H2,1-3H3,(H,19,26)(H,22,25)
InChIKeyNDGKWKDOSFVZLI-UHFFFAOYSA-N
MW390.51 g/mol
LogP1.64
Rot. Bonds5

About N-[2-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-4-[(1-methylpyrazole-4-carbonyl)amino]piperidine-1-carboxamide

N-[2-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-4-[(1-methylpyrazole-4-carbonyl)amino]piperidine-1-carboxamide (PubChem CID 75462711) has the molecular formula C18H26N6O2S and a molecular weight of 390.51 g/mol. Its IUPAC name is N-[2-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-4-[(1-methylpyrazole-4-carbonyl)amino]piperidine-1-carboxamide.

Molecular Properties

Compound NameN-[2-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-4-[(1-methylpyrazole-4-carbonyl)amino]piperidine-1-carboxamide
PubChem CID75462711
Molecular FormulaC18H26N6O2S
Molecular Weight390.51 g/mol
Exact Mass390.18
IUPAC NameN-[2-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-4-[(1-methylpyrazole-4-carbonyl)amino]piperidine-1-carboxamide
SMILESCc1nc(C)c(CCNC(=O)N2CCC(NC(=O)c3cnn(C)c3)CC2)s1
InChIInChI=1S/C18H26N6O2S/c1-12-16(27-13(2)21-12)4-7-19-18(26)24-8-5-15(6-9-24)22-17(25)14-10-20-23(3)11-14/h10-11,15H,4-9H2,1-3H3,(H,19,26)(H,22,25)
InChIKeyNDGKWKDOSFVZLI-UHFFFAOYSA-N
XLogP1.64
TPSA92.15 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.51
LogP ≤ 51.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[2-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-4-[(1-methylpyrazole-4-carbonyl)amino]piperidine-1-carboxamide?
The IUPAC name of N-[2-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-4-[(1-methylpyrazole-4-carbonyl)amino]piperidine-1-carboxamide (CID 75462711) is N-[2-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-4-[(1-methylpyrazole-4-carbonyl)amino]piperidine-1-carboxamide.
What is the SMILES notation for N-[2-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-4-[(1-methylpyrazole-4-carbonyl)amino]piperidine-1-carboxamide?
The canonical SMILES for N-[2-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-4-[(1-methylpyrazole-4-carbonyl)amino]piperidine-1-carboxamide is Cc1nc(C)c(CCNC(=O)N2CCC(NC(=O)c3cnn(C)c3)CC2)s1.
What is the InChIKey of N-[2-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-4-[(1-methylpyrazole-4-carbonyl)amino]piperidine-1-carboxamide?
The InChIKey is NDGKWKDOSFVZLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N6O2S/c1-12-16(27-13(2)21-12)4-7-19-18(26)24-8-5-15(6-9-24)22-17(25)14-10-20-23(3)11-14/h10-11,15H,4-9H2,1-3H3,(H,19,26)(H,22,25).
What are the key properties of N-[2-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-4-[(1-methylpyrazole-4-carbonyl)amino]piperidine-1-carboxamide?
N-[2-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-4-[(1-methylpyrazole-4-carbonyl)amino]piperidine-1-carboxamide has a molecular weight of 390.51 g/mol, XLogP of 1.64, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-4-[(1-methylpyrazole-4-carbonyl)amino]piperidine-1-carboxamide is sourced from PubChem (CID 75462711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).