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

C13H19N3O2S — CID 117082522

IUPACN-cyclopropyl-2-[(4-hydroxycyclohexyl)amino]-1,3-thiazole-5-carboxamide
SMILESO=C(NC1CC1)c1cnc(NC2CCC(O)CC2)s1
InChIInChI=1S/C13H19N3O2S/c17-10-5-3-9(4-6-10)16-13-14-7-11(19-13)12(18)15-8-1-2-8/h7-10,17H,1-6H2,(H,14,16)(H,15,18)
InChIKeyYYFYTAJCPSDRGM-UHFFFAOYSA-N
MW281.38 g/mol
LogP1.75
Rot. Bonds4

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

N-cyclopropyl-2-[(4-hydroxycyclohexyl)amino]-1,3-thiazole-5-carboxamide (PubChem CID 117082522) has the molecular formula C13H19N3O2S and a molecular weight of 281.38 g/mol. Its IUPAC name is N-cyclopropyl-2-[(4-hydroxycyclohexyl)amino]-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound NameN-cyclopropyl-2-[(4-hydroxycyclohexyl)amino]-1,3-thiazole-5-carboxamide
PubChem CID117082522
Molecular FormulaC13H19N3O2S
Molecular Weight281.38 g/mol
Exact Mass281.12
IUPAC NameN-cyclopropyl-2-[(4-hydroxycyclohexyl)amino]-1,3-thiazole-5-carboxamide
SMILESO=C(NC1CC1)c1cnc(NC2CCC(O)CC2)s1
InChIInChI=1S/C13H19N3O2S/c17-10-5-3-9(4-6-10)16-13-14-7-11(19-13)12(18)15-8-1-2-8/h7-10,17H,1-6H2,(H,14,16)(H,15,18)
InChIKeyYYFYTAJCPSDRGM-UHFFFAOYSA-N
XLogP1.75
TPSA74.25 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.38
LogP ≤ 51.75
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-2-[(4-hydroxycyclohexyl)amino]-1,3-thiazole-5-carboxamide?
The IUPAC name of N-cyclopropyl-2-[(4-hydroxycyclohexyl)amino]-1,3-thiazole-5-carboxamide (CID 117082522) is N-cyclopropyl-2-[(4-hydroxycyclohexyl)amino]-1,3-thiazole-5-carboxamide.
What is the SMILES notation for N-cyclopropyl-2-[(4-hydroxycyclohexyl)amino]-1,3-thiazole-5-carboxamide?
The canonical SMILES for N-cyclopropyl-2-[(4-hydroxycyclohexyl)amino]-1,3-thiazole-5-carboxamide is O=C(NC1CC1)c1cnc(NC2CCC(O)CC2)s1.
What is the InChIKey of N-cyclopropyl-2-[(4-hydroxycyclohexyl)amino]-1,3-thiazole-5-carboxamide?
The InChIKey is YYFYTAJCPSDRGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O2S/c17-10-5-3-9(4-6-10)16-13-14-7-11(19-13)12(18)15-8-1-2-8/h7-10,17H,1-6H2,(H,14,16)(H,15,18).
What are the key properties of N-cyclopropyl-2-[(4-hydroxycyclohexyl)amino]-1,3-thiazole-5-carboxamide?
N-cyclopropyl-2-[(4-hydroxycyclohexyl)amino]-1,3-thiazole-5-carboxamide has a molecular weight of 281.38 g/mol, XLogP of 1.75, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-2-[(4-hydroxycyclohexyl)amino]-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 117082522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).