2-[2-(3-aminopropyl)-1,3-thiazol-4-yl]-N-(4-hydroxycyclohexyl)acetamide

C14H23N3O2S — CID 82547664

IUPAC2-[2-(3-aminopropyl)-1,3-thiazol-4-yl]-N-(4-hydroxycyclohexyl)acetamide
SMILESNCCCc1nc(CC(=O)NC2CCC(O)CC2)cs1
InChIInChI=1S/C14H23N3O2S/c15-7-1-2-14-17-11(9-20-14)8-13(19)16-10-3-5-12(18)6-4-10/h9-10,12,18H,1-8,15H2,(H,16,19)
InChIKeyMBRUXSXJKDNIKM-UHFFFAOYSA-N
MW297.42 g/mol
LogP1.00
Rot. Bonds6

About 2-[2-(3-aminopropyl)-1,3-thiazol-4-yl]-N-(4-hydroxycyclohexyl)acetamide

2-[2-(3-aminopropyl)-1,3-thiazol-4-yl]-N-(4-hydroxycyclohexyl)acetamide (PubChem CID 82547664) has the molecular formula C14H23N3O2S and a molecular weight of 297.42 g/mol. Its IUPAC name is 2-[2-(3-aminopropyl)-1,3-thiazol-4-yl]-N-(4-hydroxycyclohexyl)acetamide.

Molecular Properties

Compound Name2-[2-(3-aminopropyl)-1,3-thiazol-4-yl]-N-(4-hydroxycyclohexyl)acetamide
PubChem CID82547664
Molecular FormulaC14H23N3O2S
Molecular Weight297.42 g/mol
Exact Mass297.15
IUPAC Name2-[2-(3-aminopropyl)-1,3-thiazol-4-yl]-N-(4-hydroxycyclohexyl)acetamide
SMILESNCCCc1nc(CC(=O)NC2CCC(O)CC2)cs1
InChIInChI=1S/C14H23N3O2S/c15-7-1-2-14-17-11(9-20-14)8-13(19)16-10-3-5-12(18)6-4-10/h9-10,12,18H,1-8,15H2,(H,16,19)
InChIKeyMBRUXSXJKDNIKM-UHFFFAOYSA-N
XLogP1.00
TPSA88.24 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.42
LogP ≤ 51.00
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

2-(2-amino-1,3-thiazol-4-yl)-N-(4-hydroxycyclohexyl)acetamide
CID 62797099
2-[2-(1-aminoethyl)-1,3-thiazol-4-yl]-N-(4-hydroxycyclohexyl)acetamide
CID 82547666
N-(4-hydroxycyclohexyl)-2-(2-methyl-1,3-thiazol-4-yl)acetamide
CID 43389129
4-[[2-[2-(3-aminopropyl)-1,3-thiazol-4-yl]acetyl]amino]butanoic acid
CID 82547800
2-[2-(1-aminoethyl)-1,3-thiazol-4-yl]-N-cyclopropylacetamide
CID 82548102
2-[2-(3-aminopropyl)-1,3-thiazol-4-yl]-N-(4-hydroxyphenyl)acetamide
CID 82547722
2-[2-(3-aminopropyl)-1,3-thiazol-4-yl]-N-(5-methyl-1,3,4-thiadiazol-2-yl)acetamide
CID 82547668
2-[4-(chloromethyl)-1,3-thiazol-2-yl]-N-cyclopropylacetamide
CID 16767849
methyl 1-[2-[2-(3-aminopropyl)-1,3-thiazol-4-yl]acetyl]piperidine-4-carboxylate
CID 110450716
2-[2-(5-aminopentyl)-1,3-thiazol-4-yl]acetamide
CID 82547698
ethyl 2-[2-(3-aminopropyl)-1,3-thiazol-4-yl]acetate
CID 107380154
N-cyclopropyl-2-[2-(morpholin-4-ylmethyl)-1,3-thiazol-4-yl]acetamide
CID 110386935

Frequently Asked Questions

What is the IUPAC name of 2-[2-(3-aminopropyl)-1,3-thiazol-4-yl]-N-(4-hydroxycyclohexyl)acetamide?
The IUPAC name of 2-[2-(3-aminopropyl)-1,3-thiazol-4-yl]-N-(4-hydroxycyclohexyl)acetamide (CID 82547664) is 2-[2-(3-aminopropyl)-1,3-thiazol-4-yl]-N-(4-hydroxycyclohexyl)acetamide.
What is the SMILES notation for 2-[2-(3-aminopropyl)-1,3-thiazol-4-yl]-N-(4-hydroxycyclohexyl)acetamide?
The canonical SMILES for 2-[2-(3-aminopropyl)-1,3-thiazol-4-yl]-N-(4-hydroxycyclohexyl)acetamide is NCCCc1nc(CC(=O)NC2CCC(O)CC2)cs1.
What is the InChIKey of 2-[2-(3-aminopropyl)-1,3-thiazol-4-yl]-N-(4-hydroxycyclohexyl)acetamide?
The InChIKey is MBRUXSXJKDNIKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O2S/c15-7-1-2-14-17-11(9-20-14)8-13(19)16-10-3-5-12(18)6-4-10/h9-10,12,18H,1-8,15H2,(H,16,19).
What are the key properties of 2-[2-(3-aminopropyl)-1,3-thiazol-4-yl]-N-(4-hydroxycyclohexyl)acetamide?
2-[2-(3-aminopropyl)-1,3-thiazol-4-yl]-N-(4-hydroxycyclohexyl)acetamide has a molecular weight of 297.42 g/mol, XLogP of 1.00, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(3-aminopropyl)-1,3-thiazol-4-yl]-N-(4-hydroxycyclohexyl)acetamide is sourced from PubChem (CID 82547664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).