N-[4-[2-[(1,4-dimethylcyclohexyl)amino]-2-oxoethyl]-1,3-thiazol-2-yl]-2-methylfuran-3-carboxamide

C19H25N3O3S — CID 51131015

IUPACN-[4-[2-[(1,4-dimethylcyclohexyl)amino]-2-oxoethyl]-1,3-thiazol-2-yl]-2-methylfuran-3-carboxamide
SMILESCc1occc1C(=O)Nc1nc(CC(=O)NC2(C)CCC(C)CC2)cs1
InChIInChI=1S/C19H25N3O3S/c1-12-4-7-19(3,8-5-12)22-16(23)10-14-11-26-18(20-14)21-17(24)15-6-9-25-13(15)2/h6,9,11-12H,4-5,7-8,10H2,1-3H3,(H,22,23)(H,20,21,24)
InChIKeyNJFBKUJVINOXBZ-UHFFFAOYSA-N
MW375.49 g/mol
LogP3.92
Rot. Bonds5

About N-[4-[2-[(1,4-dimethylcyclohexyl)amino]-2-oxoethyl]-1,3-thiazol-2-yl]-2-methylfuran-3-carboxamide

N-[4-[2-[(1,4-dimethylcyclohexyl)amino]-2-oxoethyl]-1,3-thiazol-2-yl]-2-methylfuran-3-carboxamide (PubChem CID 51131015) has the molecular formula C19H25N3O3S and a molecular weight of 375.49 g/mol. Its IUPAC name is N-[4-[2-[(1,4-dimethylcyclohexyl)amino]-2-oxoethyl]-1,3-thiazol-2-yl]-2-methylfuran-3-carboxamide.

Molecular Properties

Compound NameN-[4-[2-[(1,4-dimethylcyclohexyl)amino]-2-oxoethyl]-1,3-thiazol-2-yl]-2-methylfuran-3-carboxamide
PubChem CID51131015
Molecular FormulaC19H25N3O3S
Molecular Weight375.49 g/mol
Exact Mass375.16
IUPAC NameN-[4-[2-[(1,4-dimethylcyclohexyl)amino]-2-oxoethyl]-1,3-thiazol-2-yl]-2-methylfuran-3-carboxamide
SMILESCc1occc1C(=O)Nc1nc(CC(=O)NC2(C)CCC(C)CC2)cs1
InChIInChI=1S/C19H25N3O3S/c1-12-4-7-19(3,8-5-12)22-16(23)10-14-11-26-18(20-14)21-17(24)15-6-9-25-13(15)2/h6,9,11-12H,4-5,7-8,10H2,1-3H3,(H,22,23)(H,20,21,24)
InChIKeyNJFBKUJVINOXBZ-UHFFFAOYSA-N
XLogP3.92
TPSA84.23 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.49
LogP ≤ 53.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-[4-[2-[(1,4-dimethylcyclohexyl)amino]-2-oxoethyl]-1,3-thiazol-2-yl]-2-methylfuran-3-carboxamide with MolForge

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Related Compounds

2-(3-furoylamino)-N-mesityl-4-methyl-1,3-thiazole-5-carboxamide
CID 21985424
(E)-3-(furan-2-yl)-N-[[4-(4-methylphenyl)-1,3-thiazol-2-yl]carbamothioyl]prop-2-enamide
CID 1299088
3-Furan-2-yl-N-(4-phenyl-thiazol-2-yl)-acrylamide
CID 1585136
2-[[5-(2-methylfuran-3-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(4-phenyl-1,3-thiazol-2-yl)acetamide
CID 1871728
2,5-dimethyl-N-(4-methyl-1,3-thiazol-2-yl)furan-3-carboxamide
CID 2452527
3-(furan-2-yl)-N-(4-phenyl-1,3-thiazol-2-yl)propanamide
CID 18132565
N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-2-methyl-3-furamide
CID 1247685
(E)-N-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]-3-(furan-2-yl)prop-2-enamide
CID 2536378
1-(furan-2-ylmethyl)-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-5-oxopyrrolidine-3-carboxamide
CID 4880483
N-(4-{[1,1'-biphenyl]-4-yl}-1,3-thiazol-2-yl)-1-(furan-3-carbonyl)piperidine-4-carboxamide
CID 35509215
(E)-3-(furan-2-yl)-N-(4-phenyl-1,3-thiazol-2-yl)prop-2-enamide
CID 701039
Methyl 4-methyl-2-[(2-methyl-3-furoyl)amino]-1,3-thiazole-5-carboxylate
CID 897120

Frequently Asked Questions

What is the IUPAC name of N-[4-[2-[(1,4-dimethylcyclohexyl)amino]-2-oxoethyl]-1,3-thiazol-2-yl]-2-methylfuran-3-carboxamide?
The IUPAC name of N-[4-[2-[(1,4-dimethylcyclohexyl)amino]-2-oxoethyl]-1,3-thiazol-2-yl]-2-methylfuran-3-carboxamide (CID 51131015) is N-[4-[2-[(1,4-dimethylcyclohexyl)amino]-2-oxoethyl]-1,3-thiazol-2-yl]-2-methylfuran-3-carboxamide.
What is the SMILES notation for N-[4-[2-[(1,4-dimethylcyclohexyl)amino]-2-oxoethyl]-1,3-thiazol-2-yl]-2-methylfuran-3-carboxamide?
The canonical SMILES for N-[4-[2-[(1,4-dimethylcyclohexyl)amino]-2-oxoethyl]-1,3-thiazol-2-yl]-2-methylfuran-3-carboxamide is Cc1occc1C(=O)Nc1nc(CC(=O)NC2(C)CCC(C)CC2)cs1.
What is the InChIKey of N-[4-[2-[(1,4-dimethylcyclohexyl)amino]-2-oxoethyl]-1,3-thiazol-2-yl]-2-methylfuran-3-carboxamide?
The InChIKey is NJFBKUJVINOXBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O3S/c1-12-4-7-19(3,8-5-12)22-16(23)10-14-11-26-18(20-14)21-17(24)15-6-9-25-13(15)2/h6,9,11-12H,4-5,7-8,10H2,1-3H3,(H,22,23)(H,20,21,24).
What are the key properties of N-[4-[2-[(1,4-dimethylcyclohexyl)amino]-2-oxoethyl]-1,3-thiazol-2-yl]-2-methylfuran-3-carboxamide?
N-[4-[2-[(1,4-dimethylcyclohexyl)amino]-2-oxoethyl]-1,3-thiazol-2-yl]-2-methylfuran-3-carboxamide has a molecular weight of 375.49 g/mol, XLogP of 3.92, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-[(1,4-dimethylcyclohexyl)amino]-2-oxoethyl]-1,3-thiazol-2-yl]-2-methylfuran-3-carboxamide is sourced from PubChem (CID 51131015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).