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

C13H21N3O2S — CID 117080773

IUPAC2-[(4-hydroxycyclohexyl)amino]-N-propyl-1,3-thiazole-5-carboxamide
SMILESCCCNC(=O)c1cnc(NC2CCC(O)CC2)s1
InChIInChI=1S/C13H21N3O2S/c1-2-7-14-12(18)11-8-15-13(19-11)16-9-3-5-10(17)6-4-9/h8-10,17H,2-7H2,1H3,(H,14,18)(H,15,16)
InChIKeyHLYHWADQTBLKSF-UHFFFAOYSA-N
MW283.40 g/mol
LogP2.00
Rot. Bonds5

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

2-[(4-hydroxycyclohexyl)amino]-N-propyl-1,3-thiazole-5-carboxamide (PubChem CID 117080773) has the molecular formula C13H21N3O2S and a molecular weight of 283.40 g/mol. Its IUPAC name is 2-[(4-hydroxycyclohexyl)amino]-N-propyl-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name2-[(4-hydroxycyclohexyl)amino]-N-propyl-1,3-thiazole-5-carboxamide
PubChem CID117080773
Molecular FormulaC13H21N3O2S
Molecular Weight283.40 g/mol
Exact Mass283.14
IUPAC Name2-[(4-hydroxycyclohexyl)amino]-N-propyl-1,3-thiazole-5-carboxamide
SMILESCCCNC(=O)c1cnc(NC2CCC(O)CC2)s1
InChIInChI=1S/C13H21N3O2S/c1-2-7-14-12(18)11-8-15-13(19-11)16-9-3-5-10(17)6-4-9/h8-10,17H,2-7H2,1H3,(H,14,18)(H,15,16)
InChIKeyHLYHWADQTBLKSF-UHFFFAOYSA-N
XLogP2.00
TPSA74.25 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.40
LogP ≤ 52.00
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

2-(ethylamino)-N-(1-methoxy-4-methylpentan-3-yl)-1,3-thiazole-5-carboxamide
CID 75430485
N-[(1S,2S)-2-hydroxycyclohexyl]-2-propyl-1,3-thiazole-5-carboxamide
CID 126793620
N-cyclopropyl-2-[2-(hydroxymethyl)pyrrolidin-1-yl]-1,3-thiazole-5-carboxamide
CID 117078900
2-[2-(hydroxymethyl)pyrrolidin-1-yl]-N-propyl-1,3-thiazole-5-carboxamide
CID 117080991
2-(ethylamino)-N-(2-hydroxyethyl)-1,3-thiazole-5-carboxamide
CID 117082458
N-cyclopropyl-2-[(4-hydroxycyclohexyl)amino]-1,3-thiazole-5-carboxamide
CID 117082522
2-[(4-hydroxycyclohexyl)amino]-N-[3-(2-oxopyrrolidin-1-yl)propyl]-1,3-thiazole-5-carboxamide
CID 117083232
2-[(4-hydroxycyclohexyl)amino]-N-(2-morpholin-4-ylethyl)-1,3-thiazole-5-carboxamide
CID 117084668
N-[2-[di(propan-2-yl)amino]ethyl]-2-[2-(hydroxymethyl)pyrrolidin-1-yl]-1,3-thiazole-5-carboxamide
CID 117085367
N-[2-[di(propan-2-yl)amino]ethyl]-2-[(4-hydroxycyclohexyl)amino]-1,3-thiazole-5-carboxamide
CID 117092311
2-[(4-hydroxycyclohexyl)amino]-N-(2-hydroxyethyl)-1,3-thiazole-5-carboxamide
CID 117093956
N-(2-hydroxyethyl)-2-[2-(hydroxymethyl)pyrrolidin-1-yl]-1,3-thiazole-5-carboxamide
CID 117094384

Frequently Asked Questions

What is the IUPAC name of 2-[(4-hydroxycyclohexyl)amino]-N-propyl-1,3-thiazole-5-carboxamide?
The IUPAC name of 2-[(4-hydroxycyclohexyl)amino]-N-propyl-1,3-thiazole-5-carboxamide (CID 117080773) is 2-[(4-hydroxycyclohexyl)amino]-N-propyl-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 2-[(4-hydroxycyclohexyl)amino]-N-propyl-1,3-thiazole-5-carboxamide?
The canonical SMILES for 2-[(4-hydroxycyclohexyl)amino]-N-propyl-1,3-thiazole-5-carboxamide is CCCNC(=O)c1cnc(NC2CCC(O)CC2)s1.
What is the InChIKey of 2-[(4-hydroxycyclohexyl)amino]-N-propyl-1,3-thiazole-5-carboxamide?
The InChIKey is HLYHWADQTBLKSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O2S/c1-2-7-14-12(18)11-8-15-13(19-11)16-9-3-5-10(17)6-4-9/h8-10,17H,2-7H2,1H3,(H,14,18)(H,15,16).
What are the key properties of 2-[(4-hydroxycyclohexyl)amino]-N-propyl-1,3-thiazole-5-carboxamide?
2-[(4-hydroxycyclohexyl)amino]-N-propyl-1,3-thiazole-5-carboxamide has a molecular weight of 283.40 g/mol, XLogP of 2.00, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-hydroxycyclohexyl)amino]-N-propyl-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 117080773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).