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

C19H24ClN5O2S2 — CID 10297855

IUPACN-(5-chloro-2-pyridinyl)-2-methylsulfanyl-5-[(1-propan-2-ylpiperidine-4-carbonyl)amino]-1,3-thiazole-4-carboxamide
SMILESCSc1nc(C(=O)Nc2ccc(Cl)cn2)c(NC(=O)C2CCN(C(C)C)CC2)s1
InChIInChI=1S/C19H24ClN5O2S2/c1-11(2)25-8-6-12(7-9-25)16(26)24-18-15(23-19(28-3)29-18)17(27)22-14-5-4-13(20)10-21-14/h4-5,10-12H,6-9H2,1-3H3,(H,24,26)(H,21,22,27)
InChIKeyUQTDXOPZAYDKQZ-UHFFFAOYSA-N
MW454.02 g/mol
LogP4.22
Rot. Bonds6

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

N-(5-chloro-2-pyridinyl)-2-methylsulfanyl-5-[(1-propan-2-ylpiperidine-4-carbonyl)amino]-1,3-thiazole-4-carboxamide (PubChem CID 10297855) has the molecular formula C19H24ClN5O2S2 and a molecular weight of 454.02 g/mol. Its IUPAC name is N-(5-chloro-2-pyridinyl)-2-methylsulfanyl-5-[(1-propan-2-ylpiperidine-4-carbonyl)amino]-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-(5-chloro-2-pyridinyl)-2-methylsulfanyl-5-[(1-propan-2-ylpiperidine-4-carbonyl)amino]-1,3-thiazole-4-carboxamide
PubChem CID10297855
Molecular FormulaC19H24ClN5O2S2
Molecular Weight454.02 g/mol
Exact Mass453.11
IUPAC NameN-(5-chloro-2-pyridinyl)-2-methylsulfanyl-5-[(1-propan-2-ylpiperidine-4-carbonyl)amino]-1,3-thiazole-4-carboxamide
SMILESCSc1nc(C(=O)Nc2ccc(Cl)cn2)c(NC(=O)C2CCN(C(C)C)CC2)s1
InChIInChI=1S/C19H24ClN5O2S2/c1-11(2)25-8-6-12(7-9-25)16(26)24-18-15(23-19(28-3)29-18)17(27)22-14-5-4-13(20)10-21-14/h4-5,10-12H,6-9H2,1-3H3,(H,24,26)(H,21,22,27)
InChIKeyUQTDXOPZAYDKQZ-UHFFFAOYSA-N
XLogP4.22
TPSA87.22 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500454.02
LogP ≤ 54.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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

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Launch Full Analysis

Related Compounds

N-(3-chlorophenyl)-2-methylsulfanyl-5-[(1-propan-2-ylpiperidine-4-carbonyl)amino]-1,3-thiazole-4-carboxamide
CID 10275865
N-(5-chloro-2-pyridinyl)-6-methyl-3-[(1-propan-2-ylpiperidine-4-carbonyl)amino]pyridine-2-carboxamide
CID 20619862
N-[4-chloro-2-[(5-chloro-2-pyridinyl)carbamoyl]-6-hydroxyphenyl]-1-propan-2-ylpiperidine-4-carboxamide
CID 10182437
N-(5-chloro-2-pyridinyl)-2-methyl-5-[(1-propan-2-ylpiperidine-2-carbonyl)amino]-1,3-thiazole-4-carboxamide
CID 70070487
N-(5-chloro-2-pyridinyl)-1-propan-2-ylpiperidine-3-carboxamide
CID 166193179
1-(1-anilino-1-oxopropan-2-yl)-N-(5-chloro-2-pyridinyl)piperidine-4-carboxamide
CID 55816221
N-[2-[1-[(5-chloro-2-pyridinyl)amino]ethenyl]-4-ethylphenyl]-1-propan-2-ylpiperidine-4-carboxamide
CID 20739781
N-(5-chloro-2-pyridinyl)-1-[1-[(2-chloro-3-pyridinyl)amino]-1-oxopropan-2-yl]piperidine-4-carboxamide
CID 55816065
1-[2-[(4-chlorobenzoyl)amino]-4-methylpentanoyl]-N-(5-chloro-2-pyridinyl)piperidine-4-carboxamide
CID 60547171
3-amino-N-(5-chloro-2-pyridinyl)-1-benzofuran-2-carboxamide;N-[2-[(5-chloro-2-pyridinyl)carbamoyl]-1-benzofuran-3-yl]-1-propan-2-ylpiperidine-4-carboxamide;1-propan-2-ylpiperidine-4-carboxylic acid;hydrochloride
CID 161193935
(3S)-1-[(2S)-1-amino-1-oxopropan-2-yl]-N-(5-chloro-2-pyridinyl)piperidine-3-carboxamide
CID 94135862
N-[4-chloro-2-[(5-chloro-2-pyridinyl)carbamoyl]-6-[(3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]-1-propan-2-ylpiperidine-4-carboxamide
CID 68958020

Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2-pyridinyl)-2-methylsulfanyl-5-[(1-propan-2-ylpiperidine-4-carbonyl)amino]-1,3-thiazole-4-carboxamide?
The IUPAC name of N-(5-chloro-2-pyridinyl)-2-methylsulfanyl-5-[(1-propan-2-ylpiperidine-4-carbonyl)amino]-1,3-thiazole-4-carboxamide (CID 10297855) is N-(5-chloro-2-pyridinyl)-2-methylsulfanyl-5-[(1-propan-2-ylpiperidine-4-carbonyl)amino]-1,3-thiazole-4-carboxamide.
What is the SMILES notation for N-(5-chloro-2-pyridinyl)-2-methylsulfanyl-5-[(1-propan-2-ylpiperidine-4-carbonyl)amino]-1,3-thiazole-4-carboxamide?
The canonical SMILES for N-(5-chloro-2-pyridinyl)-2-methylsulfanyl-5-[(1-propan-2-ylpiperidine-4-carbonyl)amino]-1,3-thiazole-4-carboxamide is CSc1nc(C(=O)Nc2ccc(Cl)cn2)c(NC(=O)C2CCN(C(C)C)CC2)s1.
What is the InChIKey of N-(5-chloro-2-pyridinyl)-2-methylsulfanyl-5-[(1-propan-2-ylpiperidine-4-carbonyl)amino]-1,3-thiazole-4-carboxamide?
The InChIKey is UQTDXOPZAYDKQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24ClN5O2S2/c1-11(2)25-8-6-12(7-9-25)16(26)24-18-15(23-19(28-3)29-18)17(27)22-14-5-4-13(20)10-21-14/h4-5,10-12H,6-9H2,1-3H3,(H,24,26)(H,21,22,27).
What are the key properties of N-(5-chloro-2-pyridinyl)-2-methylsulfanyl-5-[(1-propan-2-ylpiperidine-4-carbonyl)amino]-1,3-thiazole-4-carboxamide?
N-(5-chloro-2-pyridinyl)-2-methylsulfanyl-5-[(1-propan-2-ylpiperidine-4-carbonyl)amino]-1,3-thiazole-4-carboxamide has a molecular weight of 454.02 g/mol, XLogP of 4.22, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-2-pyridinyl)-2-methylsulfanyl-5-[(1-propan-2-ylpiperidine-4-carbonyl)amino]-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 10297855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).