N-[(2-hydroxycyclohexyl)methyl]-N-methyl-2-(5-methylfuran-2-yl)-1,3-thiazole-4-carboxamide

C17H22N2O3S — CID 110003312

IUPACN-[(2-hydroxycyclohexyl)methyl]-N-methyl-2-(5-methylfuran-2-yl)-1,3-thiazole-4-carboxamide
SMILESCc1ccc(-c2nc(C(=O)N(C)CC3CCCCC3O)cs2)o1
InChIInChI=1S/C17H22N2O3S/c1-11-7-8-15(22-11)16-18-13(10-23-16)17(21)19(2)9-12-5-3-4-6-14(12)20/h7-8,10,12,14,20H,3-6,9H2,1-2H3
InChIKeyDJURTTNQXRLWCG-UHFFFAOYSA-N
MW334.44 g/mol
LogP3.33
Rot. Bonds4

About N-[(2-hydroxycyclohexyl)methyl]-N-methyl-2-(5-methylfuran-2-yl)-1,3-thiazole-4-carboxamide

N-[(2-hydroxycyclohexyl)methyl]-N-methyl-2-(5-methylfuran-2-yl)-1,3-thiazole-4-carboxamide (PubChem CID 110003312) has the molecular formula C17H22N2O3S and a molecular weight of 334.44 g/mol. Its IUPAC name is N-[(2-hydroxycyclohexyl)methyl]-N-methyl-2-(5-methylfuran-2-yl)-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-[(2-hydroxycyclohexyl)methyl]-N-methyl-2-(5-methylfuran-2-yl)-1,3-thiazole-4-carboxamide
PubChem CID110003312
Molecular FormulaC17H22N2O3S
Molecular Weight334.44 g/mol
Exact Mass334.14
IUPAC NameN-[(2-hydroxycyclohexyl)methyl]-N-methyl-2-(5-methylfuran-2-yl)-1,3-thiazole-4-carboxamide
SMILESCc1ccc(-c2nc(C(=O)N(C)CC3CCCCC3O)cs2)o1
InChIInChI=1S/C17H22N2O3S/c1-11-7-8-15(22-11)16-18-13(10-23-16)17(21)19(2)9-12-5-3-4-6-14(12)20/h7-8,10,12,14,20H,3-6,9H2,1-2H3
InChIKeyDJURTTNQXRLWCG-UHFFFAOYSA-N
XLogP3.33
TPSA66.57 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.44
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[(2-hydroxycyclohexyl)methyl]-N-methyl-2-(5-methylfuran-2-yl)-1,3-thiazole-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-methyl-2-(5-methylfuran-2-yl)-N-piperidin-4-yl-1,3-thiazole-4-carboxamide;hydrochloride
CID 119444482
N-[2-(aminomethyl)cyclohexyl]-2-(5-methylfuran-2-yl)-1,3-thiazole-4-carboxamide
CID 119612433
N-(1-hydroxypropan-2-yl)-N-methyl-2-(5-methylfuran-2-yl)-1,3-thiazole-4-carboxamide
CID 109388495
N-[(2-hydroxycyclohexyl)methyl]-N-methyl-4-(4-methyl-1,3-thiazol-2-yl)benzamide
CID 110003457
(3-hydroxypiperidin-1-yl)-[2-(5-methylfuran-2-yl)-1,3-thiazol-4-yl]methanone
CID 110889567
2-[ethyl-[2-(5-methylfuran-2-yl)-1,3-thiazole-4-carbonyl]amino]acetic acid
CID 119206330
2-[[2-(5-methylfuran-2-yl)-1,3-thiazole-4-carbonyl]-propan-2-ylamino]acetic acid
CID 119198555
[2-(2-hydroxyethyl)piperidin-1-yl]-[2-(5-methylfuran-2-yl)-1,3-thiazol-4-yl]methanone
CID 110889629
[2-(5-methylfuran-2-yl)-1,3-thiazol-4-yl]-[(3R)-3-(trifluoromethyl)piperidin-1-yl]methanone
CID 95591962
3-[[2-(furan-2-yl)-1,3-thiazol-4-yl]methyl]-1-[(2-hydroxycyclopentyl)methyl]-1-methylurea
CID 109398881
N-[2-(methylamino)ethyl]-2-(5-methylfuran-2-yl)-1,3-thiazole-4-carboxamide
CID 119504269
[(2S,4S)-4-hydroxy-2-methylpyrrolidin-1-yl]-[2-(5-methylfuran-2-yl)-1,3-thiazol-4-yl]methanone
CID 99778983

Frequently Asked Questions

What is the IUPAC name of N-[(2-hydroxycyclohexyl)methyl]-N-methyl-2-(5-methylfuran-2-yl)-1,3-thiazole-4-carboxamide?
The IUPAC name of N-[(2-hydroxycyclohexyl)methyl]-N-methyl-2-(5-methylfuran-2-yl)-1,3-thiazole-4-carboxamide (CID 110003312) is N-[(2-hydroxycyclohexyl)methyl]-N-methyl-2-(5-methylfuran-2-yl)-1,3-thiazole-4-carboxamide.
What is the SMILES notation for N-[(2-hydroxycyclohexyl)methyl]-N-methyl-2-(5-methylfuran-2-yl)-1,3-thiazole-4-carboxamide?
The canonical SMILES for N-[(2-hydroxycyclohexyl)methyl]-N-methyl-2-(5-methylfuran-2-yl)-1,3-thiazole-4-carboxamide is Cc1ccc(-c2nc(C(=O)N(C)CC3CCCCC3O)cs2)o1.
What is the InChIKey of N-[(2-hydroxycyclohexyl)methyl]-N-methyl-2-(5-methylfuran-2-yl)-1,3-thiazole-4-carboxamide?
The InChIKey is DJURTTNQXRLWCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O3S/c1-11-7-8-15(22-11)16-18-13(10-23-16)17(21)19(2)9-12-5-3-4-6-14(12)20/h7-8,10,12,14,20H,3-6,9H2,1-2H3.
What are the key properties of N-[(2-hydroxycyclohexyl)methyl]-N-methyl-2-(5-methylfuran-2-yl)-1,3-thiazole-4-carboxamide?
N-[(2-hydroxycyclohexyl)methyl]-N-methyl-2-(5-methylfuran-2-yl)-1,3-thiazole-4-carboxamide has a molecular weight of 334.44 g/mol, XLogP of 3.33, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-hydroxycyclohexyl)methyl]-N-methyl-2-(5-methylfuran-2-yl)-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 110003312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).