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

C15H27Cl2N3OS — CID 119886645

IUPAC3-amino-N-[2-(4-cyclohexyl-1,3-thiazol-2-yl)ethyl]butanamide;dihydrochloride
SMILESCC(N)CC(=O)NCCc1nc(C2CCCCC2)cs1.Cl.Cl
InChIInChI=1S/C15H25N3OS.2ClH/c1-11(16)9-14(19)17-8-7-15-18-13(10-20-15)12-5-3-2-4-6-12;;/h10-12H,2-9,16H2,1H3,(H,17,19);2*1H
InChIKeyGFCFNDQYYVBFHM-UHFFFAOYSA-N
MW368.37 g/mol
LogP3.43
Rot. Bonds6

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

3-amino-N-[2-(4-cyclohexyl-1,3-thiazol-2-yl)ethyl]butanamide;dihydrochloride (PubChem CID 119886645) has the molecular formula C15H27Cl2N3OS and a molecular weight of 368.37 g/mol. Its IUPAC name is 3-amino-N-[2-(4-cyclohexyl-1,3-thiazol-2-yl)ethyl]butanamide;dihydrochloride.

Molecular Properties

Compound Name3-amino-N-[2-(4-cyclohexyl-1,3-thiazol-2-yl)ethyl]butanamide;dihydrochloride
PubChem CID119886645
Molecular FormulaC15H27Cl2N3OS
Molecular Weight368.37 g/mol
Exact Mass367.13
IUPAC Name3-amino-N-[2-(4-cyclohexyl-1,3-thiazol-2-yl)ethyl]butanamide;dihydrochloride
SMILESCC(N)CC(=O)NCCc1nc(C2CCCCC2)cs1.Cl.Cl
InChIInChI=1S/C15H25N3OS.2ClH/c1-11(16)9-14(19)17-8-7-15-18-13(10-20-15)12-5-3-2-4-6-12;;/h10-12H,2-9,16H2,1H3,(H,17,19);2*1H
InChIKeyGFCFNDQYYVBFHM-UHFFFAOYSA-N
XLogP3.43
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.37
LogP ≤ 53.43
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
4-amino-N-[2-(4-cyclohexyl-1,3-thiazol-2-yl)ethyl]butanamide
CID 119886656
2-amino-N-[2-(4-cyclohexyl-1,3-thiazol-2-yl)ethyl]benzamide;dihydrochloride
CID 119947232
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
(2R)-N-[2-(4-cyclohexyl-1,3-thiazol-2-yl)ethyl]-5-oxopyrrolidine-2-carboxamide
CID 96515887
4-cyclohexyl-2-propyl-1,3-thiazole
CID 130157916
3-amino-N-(2-cyclohexylethyl)butanamide;hydrochloride
CID 119725742
4-(4-cyclohexyl-1,3-thiazol-2-yl)butan-1-ol
CID 116968668
4-amino-5-chloro-N-[2-(4-cyclohexyl-1,3-thiazol-2-yl)ethyl]-2-methoxybenzamide
CID 119886652
3-(4-cyclohexyl-1,3-thiazol-2-yl)-2-(methylamino)propanoic acid
CID 116969836
N-(4-cyclohexyl-1,3-thiazol-2-yl)propanamide
CID 5141035

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[2-(4-cyclohexyl-1,3-thiazol-2-yl)ethyl]butanamide;dihydrochloride?
The IUPAC name of 3-amino-N-[2-(4-cyclohexyl-1,3-thiazol-2-yl)ethyl]butanamide;dihydrochloride (CID 119886645) is 3-amino-N-[2-(4-cyclohexyl-1,3-thiazol-2-yl)ethyl]butanamide;dihydrochloride.
What is the SMILES notation for 3-amino-N-[2-(4-cyclohexyl-1,3-thiazol-2-yl)ethyl]butanamide;dihydrochloride?
The canonical SMILES for 3-amino-N-[2-(4-cyclohexyl-1,3-thiazol-2-yl)ethyl]butanamide;dihydrochloride is CC(N)CC(=O)NCCc1nc(C2CCCCC2)cs1.Cl.Cl.
What is the InChIKey of 3-amino-N-[2-(4-cyclohexyl-1,3-thiazol-2-yl)ethyl]butanamide;dihydrochloride?
The InChIKey is GFCFNDQYYVBFHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3OS.2ClH/c1-11(16)9-14(19)17-8-7-15-18-13(10-20-15)12-5-3-2-4-6-12;;/h10-12H,2-9,16H2,1H3,(H,17,19);2*1H.
What are the key properties of 3-amino-N-[2-(4-cyclohexyl-1,3-thiazol-2-yl)ethyl]butanamide;dihydrochloride?
3-amino-N-[2-(4-cyclohexyl-1,3-thiazol-2-yl)ethyl]butanamide;dihydrochloride has a molecular weight of 368.37 g/mol, XLogP of 3.43, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[2-(4-cyclohexyl-1,3-thiazol-2-yl)ethyl]butanamide;dihydrochloride is sourced from PubChem (CID 119886645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).