N-[4-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]cyclohexyl]-3-pyridin-3-ylpropanamide

C18H23N3OS2 — CID 175642849

IUPACN-[4-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]cyclohexyl]-3-pyridin-3-ylpropanamide
SMILESCc1csc(SC2CCC(NC(=O)CCc3cccnc3)CC2)n1
InChIInChI=1S/C18H23N3OS2/c1-13-12-23-18(20-13)24-16-7-5-15(6-8-16)21-17(22)9-4-14-3-2-10-19-11-14/h2-3,10-12,15-16H,4-9H2,1H3,(H,21,22)
InChIKeyOWCYTCBOLLGUBR-UHFFFAOYSA-N
MW361.54 g/mol
LogP4.00
Rot. Bonds6

About N-[4-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]cyclohexyl]-3-pyridin-3-ylpropanamide

N-[4-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]cyclohexyl]-3-pyridin-3-ylpropanamide (PubChem CID 175642849) has the molecular formula C18H23N3OS2 and a molecular weight of 361.54 g/mol. Its IUPAC name is N-[4-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]cyclohexyl]-3-pyridin-3-ylpropanamide.

Molecular Properties

Compound NameN-[4-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]cyclohexyl]-3-pyridin-3-ylpropanamide
PubChem CID175642849
Molecular FormulaC18H23N3OS2
Molecular Weight361.54 g/mol
Exact Mass361.13
IUPAC NameN-[4-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]cyclohexyl]-3-pyridin-3-ylpropanamide
SMILESCc1csc(SC2CCC(NC(=O)CCc3cccnc3)CC2)n1
InChIInChI=1S/C18H23N3OS2/c1-13-12-23-18(20-13)24-16-7-5-15(6-8-16)21-17(22)9-4-14-3-2-10-19-11-14/h2-3,10-12,15-16H,4-9H2,1H3,(H,21,22)
InChIKeyOWCYTCBOLLGUBR-UHFFFAOYSA-N
XLogP4.00
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.54
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[4-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]cyclohexyl]-3-pyridin-3-ylpropanamide?
The IUPAC name of N-[4-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]cyclohexyl]-3-pyridin-3-ylpropanamide (CID 175642849) is N-[4-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]cyclohexyl]-3-pyridin-3-ylpropanamide.
What is the SMILES notation for N-[4-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]cyclohexyl]-3-pyridin-3-ylpropanamide?
The canonical SMILES for N-[4-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]cyclohexyl]-3-pyridin-3-ylpropanamide is Cc1csc(SC2CCC(NC(=O)CCc3cccnc3)CC2)n1.
What is the InChIKey of N-[4-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]cyclohexyl]-3-pyridin-3-ylpropanamide?
The InChIKey is OWCYTCBOLLGUBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3OS2/c1-13-12-23-18(20-13)24-16-7-5-15(6-8-16)21-17(22)9-4-14-3-2-10-19-11-14/h2-3,10-12,15-16H,4-9H2,1H3,(H,21,22).
What are the key properties of N-[4-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]cyclohexyl]-3-pyridin-3-ylpropanamide?
N-[4-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]cyclohexyl]-3-pyridin-3-ylpropanamide has a molecular weight of 361.54 g/mol, XLogP of 4.00, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]cyclohexyl]-3-pyridin-3-ylpropanamide is sourced from PubChem (CID 175642849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).