N-cyclohexyl-2-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethylamino]propanamide

C16H27N3OS — CID 61067652

IUPACN-cyclohexyl-2-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethylamino]propanamide
SMILESCc1nc(C)c(C(C)NC(C)C(=O)NC2CCCCC2)s1
InChIInChI=1S/C16H27N3OS/c1-10(15-11(2)18-13(4)21-15)17-12(3)16(20)19-14-8-6-5-7-9-14/h10,12,14,17H,5-9H2,1-4H3,(H,19,20)
InChIKeyYYVRJQWNCIFQBI-UHFFFAOYSA-N
MW309.48 g/mol
LogP3.25
Rot. Bonds5

About N-cyclohexyl-2-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethylamino]propanamide

N-cyclohexyl-2-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethylamino]propanamide (PubChem CID 61067652) has the molecular formula C16H27N3OS and a molecular weight of 309.48 g/mol. Its IUPAC name is N-cyclohexyl-2-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethylamino]propanamide.

Molecular Properties

Compound NameN-cyclohexyl-2-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethylamino]propanamide
PubChem CID61067652
Molecular FormulaC16H27N3OS
Molecular Weight309.48 g/mol
Exact Mass309.19
IUPAC NameN-cyclohexyl-2-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethylamino]propanamide
SMILESCc1nc(C)c(C(C)NC(C)C(=O)NC2CCCCC2)s1
InChIInChI=1S/C16H27N3OS/c1-10(15-11(2)18-13(4)21-15)17-12(3)16(20)19-14-8-6-5-7-9-14/h10,12,14,17H,5-9H2,1-4H3,(H,19,20)
InChIKeyYYVRJQWNCIFQBI-UHFFFAOYSA-N
XLogP3.25
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.48
LogP ≤ 53.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-cyclopropyl-2-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethylamino]propanamide
CID 61192769
N-cycloheptyl-2-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethylamino]acetamide
CID 62575829
N-cyclopentyl-2-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethylamino]acetamide
CID 61193344
N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]cycloheptanamine
CID 61059148
1-(2,4-dimethyl-1,3-thiazol-5-yl)-N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]ethanamine
CID 63752942
N-cycloheptyl-2,4-dimethyl-1,3-thiazole-5-carboxamide
CID 9123260
(2S)-1-N-cyclohexyl-2-N-[(1R)-1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]pyrrolidine-1,2-dicarboxamide
CID 97002692
N-cyclohexyl-2-[[(1S)-1-cyclohexylethyl]amino]propanamide
CID 81384329
N-cyclohexyl-2-[[(1R)-1-cyclohexylethyl]amino]propanamide
CID 81384882
N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]cyclopropanecarboxamide
CID 47317373
N-cyclopropyl-2-[1-(2-methyl-1,3-thiazol-4-yl)ethylamino]propanamide
CID 113248241
N-cyclohexyl-2-[1-(5-methylfuran-2-yl)ethylamino]propanamide
CID 60654151

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-2-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethylamino]propanamide?
The IUPAC name of N-cyclohexyl-2-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethylamino]propanamide (CID 61067652) is N-cyclohexyl-2-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethylamino]propanamide.
What is the SMILES notation for N-cyclohexyl-2-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethylamino]propanamide?
The canonical SMILES for N-cyclohexyl-2-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethylamino]propanamide is Cc1nc(C)c(C(C)NC(C)C(=O)NC2CCCCC2)s1.
What is the InChIKey of N-cyclohexyl-2-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethylamino]propanamide?
The InChIKey is YYVRJQWNCIFQBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3OS/c1-10(15-11(2)18-13(4)21-15)17-12(3)16(20)19-14-8-6-5-7-9-14/h10,12,14,17H,5-9H2,1-4H3,(H,19,20).
What are the key properties of N-cyclohexyl-2-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethylamino]propanamide?
N-cyclohexyl-2-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethylamino]propanamide has a molecular weight of 309.48 g/mol, XLogP of 3.25, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-2-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethylamino]propanamide is sourced from PubChem (CID 61067652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).