2-[(4-hydroxycyclohexyl)amino]-N-(2-phenoxyethyl)-1,3-thiazole-5-carboxamide

C18H23N3O3S — CID 117082676

IUPAC2-[(4-hydroxycyclohexyl)amino]-N-(2-phenoxyethyl)-1,3-thiazole-5-carboxamide
SMILESO=C(NCCOc1ccccc1)c1cnc(NC2CCC(O)CC2)s1
InChIInChI=1S/C18H23N3O3S/c22-14-8-6-13(7-9-14)21-18-20-12-16(25-18)17(23)19-10-11-24-15-4-2-1-3-5-15/h1-5,12-14,22H,6-11H2,(H,19,23)(H,20,21)
InChIKeyHHNAOVYKLVVMHD-UHFFFAOYSA-N
MW361.47 g/mol
LogP2.67
Rot. Bonds7

About 2-[(4-hydroxycyclohexyl)amino]-N-(2-phenoxyethyl)-1,3-thiazole-5-carboxamide

2-[(4-hydroxycyclohexyl)amino]-N-(2-phenoxyethyl)-1,3-thiazole-5-carboxamide (PubChem CID 117082676) has the molecular formula C18H23N3O3S and a molecular weight of 361.47 g/mol. Its IUPAC name is 2-[(4-hydroxycyclohexyl)amino]-N-(2-phenoxyethyl)-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name2-[(4-hydroxycyclohexyl)amino]-N-(2-phenoxyethyl)-1,3-thiazole-5-carboxamide
PubChem CID117082676
Molecular FormulaC18H23N3O3S
Molecular Weight361.47 g/mol
Exact Mass361.15
IUPAC Name2-[(4-hydroxycyclohexyl)amino]-N-(2-phenoxyethyl)-1,3-thiazole-5-carboxamide
SMILESO=C(NCCOc1ccccc1)c1cnc(NC2CCC(O)CC2)s1
InChIInChI=1S/C18H23N3O3S/c22-14-8-6-13(7-9-14)21-18-20-12-16(25-18)17(23)19-10-11-24-15-4-2-1-3-5-15/h1-5,12-14,22H,6-11H2,(H,19,23)(H,20,21)
InChIKeyHHNAOVYKLVVMHD-UHFFFAOYSA-N
XLogP2.67
TPSA83.48 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.47
LogP ≤ 52.67
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-[(4-hydroxycyclohexyl)amino]-N-(2-phenoxyethyl)-1,3-benzothiazole-6-carboxamide
CID 117092147
N-(2-phenoxyethyl)-2-(pyridin-4-ylamino)-1,3-thiazole-5-carboxamide
CID 117089144
N-(2-phenoxyethyl)-2-(pyrimidin-4-ylamino)-1,3-thiazole-5-carboxamide
CID 117083558
2-(cyclopropylamino)-N-methoxy-1,3-thiazole-5-carboxamide
CID 130637977
2-[(1-benzylpiperidin-4-yl)amino]-N-phenyl-1,3-thiazole-5-carboxamide
CID 117087880
4-ethyl-5-methyl-N-(2-phenoxyethyl)thiophene-2-carboxamide
CID 32933112
2-ethyl-N-[2-[(2-phenoxyacetyl)amino]ethyl]-1,3-thiazole-5-carboxamide
CID 48576458
N-[2-(4-chlorophenoxy)ethyl]-2-propyl-1,3-thiazole-5-carboxamide
CID 57210461
4-[(5-nitro-1,3-thiazol-2-yl)amino]cyclohexan-1-ol
CID 102770367
1,3-dimethyl-N-(2-phenoxyethyl)thieno[3,2-d]pyrazole-5-carboxamide
CID 51304942
N-(2-phenoxyethyl)cyclopentanecarboxamide
CID 30349598
N-(2-phenoxyethyl)-1,3-thiazole-4-carboxamide
CID 63049091

Frequently Asked Questions

What is the IUPAC name of 2-[(4-hydroxycyclohexyl)amino]-N-(2-phenoxyethyl)-1,3-thiazole-5-carboxamide?
The IUPAC name of 2-[(4-hydroxycyclohexyl)amino]-N-(2-phenoxyethyl)-1,3-thiazole-5-carboxamide (CID 117082676) is 2-[(4-hydroxycyclohexyl)amino]-N-(2-phenoxyethyl)-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 2-[(4-hydroxycyclohexyl)amino]-N-(2-phenoxyethyl)-1,3-thiazole-5-carboxamide?
The canonical SMILES for 2-[(4-hydroxycyclohexyl)amino]-N-(2-phenoxyethyl)-1,3-thiazole-5-carboxamide is O=C(NCCOc1ccccc1)c1cnc(NC2CCC(O)CC2)s1.
What is the InChIKey of 2-[(4-hydroxycyclohexyl)amino]-N-(2-phenoxyethyl)-1,3-thiazole-5-carboxamide?
The InChIKey is HHNAOVYKLVVMHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O3S/c22-14-8-6-13(7-9-14)21-18-20-12-16(25-18)17(23)19-10-11-24-15-4-2-1-3-5-15/h1-5,12-14,22H,6-11H2,(H,19,23)(H,20,21).
What are the key properties of 2-[(4-hydroxycyclohexyl)amino]-N-(2-phenoxyethyl)-1,3-thiazole-5-carboxamide?
2-[(4-hydroxycyclohexyl)amino]-N-(2-phenoxyethyl)-1,3-thiazole-5-carboxamide has a molecular weight of 361.47 g/mol, XLogP of 2.67, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-hydroxycyclohexyl)amino]-N-(2-phenoxyethyl)-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 117082676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).