N-(5-chloro-2-pyridinyl)-2-methyl-5-[(1-propan-2-ylpiperidine-2-carbonyl)amino]-1,3-thiazole-4-carboxamide

C19H24ClN5O2S — CID 70070487

IUPACN-(5-chloro-2-pyridinyl)-2-methyl-5-[(1-propan-2-ylpiperidine-2-carbonyl)amino]-1,3-thiazole-4-carboxamide
SMILESCc1nc(C(=O)Nc2ccc(Cl)cn2)c(NC(=O)C2CCCCN2C(C)C)s1
InChIInChI=1S/C19H24ClN5O2S/c1-11(2)25-9-5-4-6-14(25)17(26)24-19-16(22-12(3)28-19)18(27)23-15-8-7-13(20)10-21-15/h7-8,10-11,14H,4-6,9H2,1-3H3,(H,24,26)(H,21,23,27)
InChIKeyKCESCCBUONRFRU-UHFFFAOYSA-N
MW421.95 g/mol
LogP3.95
Rot. Bonds5

About N-(5-chloro-2-pyridinyl)-2-methyl-5-[(1-propan-2-ylpiperidine-2-carbonyl)amino]-1,3-thiazole-4-carboxamide

N-(5-chloro-2-pyridinyl)-2-methyl-5-[(1-propan-2-ylpiperidine-2-carbonyl)amino]-1,3-thiazole-4-carboxamide (PubChem CID 70070487) has the molecular formula C19H24ClN5O2S and a molecular weight of 421.95 g/mol. Its IUPAC name is N-(5-chloro-2-pyridinyl)-2-methyl-5-[(1-propan-2-ylpiperidine-2-carbonyl)amino]-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-(5-chloro-2-pyridinyl)-2-methyl-5-[(1-propan-2-ylpiperidine-2-carbonyl)amino]-1,3-thiazole-4-carboxamide
PubChem CID70070487
Molecular FormulaC19H24ClN5O2S
Molecular Weight421.95 g/mol
Exact Mass421.13
IUPAC NameN-(5-chloro-2-pyridinyl)-2-methyl-5-[(1-propan-2-ylpiperidine-2-carbonyl)amino]-1,3-thiazole-4-carboxamide
SMILESCc1nc(C(=O)Nc2ccc(Cl)cn2)c(NC(=O)C2CCCCN2C(C)C)s1
InChIInChI=1S/C19H24ClN5O2S/c1-11(2)25-9-5-4-6-14(25)17(26)24-19-16(22-12(3)28-19)18(27)23-15-8-7-13(20)10-21-15/h7-8,10-11,14H,4-6,9H2,1-3H3,(H,24,26)(H,21,23,27)
InChIKeyKCESCCBUONRFRU-UHFFFAOYSA-N
XLogP3.95
TPSA87.22 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.95
LogP ≤ 53.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2-pyridinyl)-2-methyl-5-[(1-propan-2-ylpiperidine-2-carbonyl)amino]-1,3-thiazole-4-carboxamide?
The IUPAC name of N-(5-chloro-2-pyridinyl)-2-methyl-5-[(1-propan-2-ylpiperidine-2-carbonyl)amino]-1,3-thiazole-4-carboxamide (CID 70070487) is N-(5-chloro-2-pyridinyl)-2-methyl-5-[(1-propan-2-ylpiperidine-2-carbonyl)amino]-1,3-thiazole-4-carboxamide.
What is the SMILES notation for N-(5-chloro-2-pyridinyl)-2-methyl-5-[(1-propan-2-ylpiperidine-2-carbonyl)amino]-1,3-thiazole-4-carboxamide?
The canonical SMILES for N-(5-chloro-2-pyridinyl)-2-methyl-5-[(1-propan-2-ylpiperidine-2-carbonyl)amino]-1,3-thiazole-4-carboxamide is Cc1nc(C(=O)Nc2ccc(Cl)cn2)c(NC(=O)C2CCCCN2C(C)C)s1.
What is the InChIKey of N-(5-chloro-2-pyridinyl)-2-methyl-5-[(1-propan-2-ylpiperidine-2-carbonyl)amino]-1,3-thiazole-4-carboxamide?
The InChIKey is KCESCCBUONRFRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24ClN5O2S/c1-11(2)25-9-5-4-6-14(25)17(26)24-19-16(22-12(3)28-19)18(27)23-15-8-7-13(20)10-21-15/h7-8,10-11,14H,4-6,9H2,1-3H3,(H,24,26)(H,21,23,27).
What are the key properties of N-(5-chloro-2-pyridinyl)-2-methyl-5-[(1-propan-2-ylpiperidine-2-carbonyl)amino]-1,3-thiazole-4-carboxamide?
N-(5-chloro-2-pyridinyl)-2-methyl-5-[(1-propan-2-ylpiperidine-2-carbonyl)amino]-1,3-thiazole-4-carboxamide has a molecular weight of 421.95 g/mol, XLogP of 3.95, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-2-pyridinyl)-2-methyl-5-[(1-propan-2-ylpiperidine-2-carbonyl)amino]-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 70070487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).