N-cyclooctyl-N,4-dimethyl-2-pyridin-2-yl-1,3-thiazole-5-carboxamide

C19H25N3OS — CID 71934858

IUPACN-cyclooctyl-N,4-dimethyl-2-pyridin-2-yl-1,3-thiazole-5-carboxamide
SMILESCc1nc(-c2ccccn2)sc1C(=O)N(C)C1CCCCCCC1
InChIInChI=1S/C19H25N3OS/c1-14-17(24-18(21-14)16-12-8-9-13-20-16)19(23)22(2)15-10-6-4-3-5-7-11-15/h8-9,12-13,15H,3-7,10-11H2,1-2H3
InChIKeyABEPQUFCYZNFQK-UHFFFAOYSA-N
MW343.50 g/mol
LogP4.70
Rot. Bonds3

About N-cyclooctyl-N,4-dimethyl-2-pyridin-2-yl-1,3-thiazole-5-carboxamide

N-cyclooctyl-N,4-dimethyl-2-pyridin-2-yl-1,3-thiazole-5-carboxamide (PubChem CID 71934858) has the molecular formula C19H25N3OS and a molecular weight of 343.50 g/mol. Its IUPAC name is N-cyclooctyl-N,4-dimethyl-2-pyridin-2-yl-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound NameN-cyclooctyl-N,4-dimethyl-2-pyridin-2-yl-1,3-thiazole-5-carboxamide
PubChem CID71934858
Molecular FormulaC19H25N3OS
Molecular Weight343.50 g/mol
Exact Mass343.17
IUPAC NameN-cyclooctyl-N,4-dimethyl-2-pyridin-2-yl-1,3-thiazole-5-carboxamide
SMILESCc1nc(-c2ccccn2)sc1C(=O)N(C)C1CCCCCCC1
InChIInChI=1S/C19H25N3OS/c1-14-17(24-18(21-14)16-12-8-9-13-20-16)19(23)22(2)15-10-6-4-3-5-7-11-15/h8-9,12-13,15H,3-7,10-11H2,1-2H3
InChIKeyABEPQUFCYZNFQK-UHFFFAOYSA-N
XLogP4.70
TPSA46.09 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.50
LogP ≤ 54.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-cyclopentyl-N-ethyl-4-methyl-2-pyridin-2-yl-1,3-thiazole-5-carboxamide
CID 134060937
N-[4-[cyclohexyl(methyl)carbamoyl]phenyl]-4-methyl-2-pyridin-2-yl-1,3-thiazole-5-carboxamide
CID 55920129
2-benzyl-N-cycloheptyl-N,4-dimethyl-1,3-thiazole-5-carboxamide
CID 55668344
[(2R,6S)-2,6-dimethylpiperidin-1-yl]-(4-methyl-2-pyridin-2-yl-1,3-thiazol-5-yl)methanone
CID 39080704
N-(2-tert-butylcyclohexyl)-4-methyl-2-pyridin-2-yl-1,3-thiazole-5-carboxamide
CID 55583530
N-(1,3-benzothiazol-2-yl)-N,4-dimethyl-2-pyridin-2-yl-1,3-thiazole-5-carboxamide
CID 17492594
4-methyl-N-[2-[(2S)-2-methylpiperidin-1-yl]ethyl]-2-pyridin-2-yl-1,3-thiazole-5-carboxamide
CID 94868020
N-(furan-2-ylmethyl)-N,4-dimethyl-2-pyridin-2-yl-1,3-thiazole-5-carboxamide
CID 18109857
2-(2,4-dimethylphenyl)-N,4-dimethyl-N-(1-pyridin-2-ylpiperidin-4-yl)-1,3-thiazole-5-carboxamide
CID 52831110
N,4-dimethyl-2-pyridin-2-yl-N-[[4-(trifluoromethyl)phenyl]methyl]-1,3-thiazole-5-carboxamide
CID 24515264
[2-[[(1R,2R)-2-methylcyclohexyl]amino]-2-oxoethyl] 4-methyl-2-pyridin-2-yl-1,3-thiazole-5-carboxylate
CID 9137515
2-amino-N-cyclopentyl-N,4-dimethyl-1,3-thiazole-5-carboxamide
CID 62794073

Frequently Asked Questions

What is the IUPAC name of N-cyclooctyl-N,4-dimethyl-2-pyridin-2-yl-1,3-thiazole-5-carboxamide?
The IUPAC name of N-cyclooctyl-N,4-dimethyl-2-pyridin-2-yl-1,3-thiazole-5-carboxamide (CID 71934858) is N-cyclooctyl-N,4-dimethyl-2-pyridin-2-yl-1,3-thiazole-5-carboxamide.
What is the SMILES notation for N-cyclooctyl-N,4-dimethyl-2-pyridin-2-yl-1,3-thiazole-5-carboxamide?
The canonical SMILES for N-cyclooctyl-N,4-dimethyl-2-pyridin-2-yl-1,3-thiazole-5-carboxamide is Cc1nc(-c2ccccn2)sc1C(=O)N(C)C1CCCCCCC1.
What is the InChIKey of N-cyclooctyl-N,4-dimethyl-2-pyridin-2-yl-1,3-thiazole-5-carboxamide?
The InChIKey is ABEPQUFCYZNFQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3OS/c1-14-17(24-18(21-14)16-12-8-9-13-20-16)19(23)22(2)15-10-6-4-3-5-7-11-15/h8-9,12-13,15H,3-7,10-11H2,1-2H3.
What are the key properties of N-cyclooctyl-N,4-dimethyl-2-pyridin-2-yl-1,3-thiazole-5-carboxamide?
N-cyclooctyl-N,4-dimethyl-2-pyridin-2-yl-1,3-thiazole-5-carboxamide has a molecular weight of 343.50 g/mol, XLogP of 4.70, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclooctyl-N,4-dimethyl-2-pyridin-2-yl-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 71934858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).