4-amino-N-[2-(4-cyclohexyl-1,3-thiazol-2-yl)ethyl]butanamide

C15H25N3OS — CID 119886656

IUPAC4-amino-N-[2-(4-cyclohexyl-1,3-thiazol-2-yl)ethyl]butanamide
SMILESNCCCC(=O)NCCc1nc(C2CCCCC2)cs1
InChIInChI=1S/C15H25N3OS/c16-9-4-7-14(19)17-10-8-15-18-13(11-20-15)12-5-2-1-3-6-12/h11-12H,1-10,16H2,(H,17,19)
InChIKeyKWCNADCQIXGFQW-UHFFFAOYSA-N
MW295.45 g/mol
LogP2.59
Rot. Bonds7

About 4-amino-N-[2-(4-cyclohexyl-1,3-thiazol-2-yl)ethyl]butanamide

4-amino-N-[2-(4-cyclohexyl-1,3-thiazol-2-yl)ethyl]butanamide (PubChem CID 119886656) has the molecular formula C15H25N3OS and a molecular weight of 295.45 g/mol. Its IUPAC name is 4-amino-N-[2-(4-cyclohexyl-1,3-thiazol-2-yl)ethyl]butanamide.

Molecular Properties

Compound Name4-amino-N-[2-(4-cyclohexyl-1,3-thiazol-2-yl)ethyl]butanamide
PubChem CID119886656
Molecular FormulaC15H25N3OS
Molecular Weight295.45 g/mol
Exact Mass295.17
IUPAC Name4-amino-N-[2-(4-cyclohexyl-1,3-thiazol-2-yl)ethyl]butanamide
SMILESNCCCC(=O)NCCc1nc(C2CCCCC2)cs1
InChIInChI=1S/C15H25N3OS/c16-9-4-7-14(19)17-10-8-15-18-13(11-20-15)12-5-2-1-3-6-12/h11-12H,1-10,16H2,(H,17,19)
InChIKeyKWCNADCQIXGFQW-UHFFFAOYSA-N
XLogP2.59
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.45
LogP ≤ 52.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(4-cyclohexyl-1,3-thiazol-2-yl)ethyl]-2-(methylamino)acetamide
CID 120704485
3-amino-N-[2-(4-cyclohexyl-1,3-thiazol-2-yl)ethyl]butanamide;dihydrochloride
CID 119886645
7-amino-N-[(4-cyclopropyl-1,3-thiazol-2-yl)methyl]heptanamide
CID 119897286
2-[2-(4-cyclohexyl-1,3-thiazol-2-yl)ethylcarbamoyl]cyclopropane-1-carboxylic acid
CID 119185022
N-[2-(4-cyclohexyl-1,3-thiazol-2-yl)ethyl]-2-(1,1-dioxothian-3-yl)acetamide
CID 138994800
2-amino-N-[2-(4-cyclohexyl-1,3-thiazol-2-yl)ethyl]benzamide;dihydrochloride
CID 119947232
4-(4-cyclohexyl-1,3-thiazol-2-yl)butan-1-ol
CID 116968668
(2R)-N-[2-(4-cyclohexyl-1,3-thiazol-2-yl)ethyl]-5-oxopyrrolidine-2-carboxamide
CID 96515887
4-amino-N-[3-(4-pyridin-4-yl-1,3-thiazol-2-yl)propyl]butanamide;dihydrochloride
CID 119875531
4-cyclohexyl-2-propyl-1,3-thiazole
CID 130157916
2-[2-(3-aminopropanoylamino)ethyl]-1,3-thiazole-4-carboxylic acid
CID 66374025
3-(4-piperidin-3-yl-1,3-thiazol-2-yl)propan-1-amine
CID 115035204

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[2-(4-cyclohexyl-1,3-thiazol-2-yl)ethyl]butanamide?
The IUPAC name of 4-amino-N-[2-(4-cyclohexyl-1,3-thiazol-2-yl)ethyl]butanamide (CID 119886656) is 4-amino-N-[2-(4-cyclohexyl-1,3-thiazol-2-yl)ethyl]butanamide.
What is the SMILES notation for 4-amino-N-[2-(4-cyclohexyl-1,3-thiazol-2-yl)ethyl]butanamide?
The canonical SMILES for 4-amino-N-[2-(4-cyclohexyl-1,3-thiazol-2-yl)ethyl]butanamide is NCCCC(=O)NCCc1nc(C2CCCCC2)cs1.
What is the InChIKey of 4-amino-N-[2-(4-cyclohexyl-1,3-thiazol-2-yl)ethyl]butanamide?
The InChIKey is KWCNADCQIXGFQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3OS/c16-9-4-7-14(19)17-10-8-15-18-13(11-20-15)12-5-2-1-3-6-12/h11-12H,1-10,16H2,(H,17,19).
What are the key properties of 4-amino-N-[2-(4-cyclohexyl-1,3-thiazol-2-yl)ethyl]butanamide?
4-amino-N-[2-(4-cyclohexyl-1,3-thiazol-2-yl)ethyl]butanamide has a molecular weight of 295.45 g/mol, XLogP of 2.59, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[2-(4-cyclohexyl-1,3-thiazol-2-yl)ethyl]butanamide is sourced from PubChem (CID 119886656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).