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

C16H27N3OS — CID 62575829

IUPACN-cycloheptyl-2-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethylamino]acetamide
SMILESCc1nc(C)c(C(C)NCC(=O)NC2CCCCCC2)s1
InChIInChI=1S/C16H27N3OS/c1-11(16-12(2)18-13(3)21-16)17-10-15(20)19-14-8-6-4-5-7-9-14/h11,14,17H,4-10H2,1-3H3,(H,19,20)
InChIKeyKVMRLSYEBJANGY-UHFFFAOYSA-N
MW309.48 g/mol
LogP3.25
Rot. Bonds5

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

N-cycloheptyl-2-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethylamino]acetamide (PubChem CID 62575829) has the molecular formula C16H27N3OS and a molecular weight of 309.48 g/mol. Its IUPAC name is N-cycloheptyl-2-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethylamino]acetamide.

Molecular Properties

Compound NameN-cycloheptyl-2-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethylamino]acetamide
PubChem CID62575829
Molecular FormulaC16H27N3OS
Molecular Weight309.48 g/mol
Exact Mass309.19
IUPAC NameN-cycloheptyl-2-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethylamino]acetamide
SMILESCc1nc(C)c(C(C)NCC(=O)NC2CCCCCC2)s1
InChIInChI=1S/C16H27N3OS/c1-11(16-12(2)18-13(3)21-16)17-10-15(20)19-14-8-6-4-5-7-9-14/h11,14,17H,4-10H2,1-3H3,(H,19,20)
InChIKeyKVMRLSYEBJANGY-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-cyclopentyl-2-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethylamino]acetamide
CID 61193344
N-cyclohexyl-2-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethylamino]propanamide
CID 61067652
2-[1-(2-tert-butyl-4-methyl-1,3-thiazol-5-yl)ethylamino]-N-cyclopropylacetamide
CID 43778001
2-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethylamino]-N-methylacetamide
CID 61193340
N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]cycloheptanamine
CID 61059148
N-cycloheptyl-2-[1-(5-methylthiophen-2-yl)ethylamino]acetamide
CID 62574010
N-cyclopropyl-2-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethylamino]propanamide
CID 61192769
4-[[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethylamino]methyl]cyclohexane-1-carboxylic acid
CID 79531995
N-cyclohexyl-2-[[(1R)-1-(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)ethyl]amino]acetamide
CID 97068249
(2S)-1-N-cyclohexyl-2-N-[(1R)-1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]pyrrolidine-1,2-dicarboxamide
CID 97002692
2-[[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethylamino]methyl]prop-2-enoic acid
CID 103242808
N-(azepan-2-ylmethyl)-1-(2,4-dimethyl-1,3-thiazol-5-yl)ethanamine
CID 64569173

Frequently Asked Questions

What is the IUPAC name of N-cycloheptyl-2-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethylamino]acetamide?
The IUPAC name of N-cycloheptyl-2-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethylamino]acetamide (CID 62575829) is N-cycloheptyl-2-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethylamino]acetamide.
What is the SMILES notation for N-cycloheptyl-2-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethylamino]acetamide?
The canonical SMILES for N-cycloheptyl-2-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethylamino]acetamide is Cc1nc(C)c(C(C)NCC(=O)NC2CCCCCC2)s1.
What is the InChIKey of N-cycloheptyl-2-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethylamino]acetamide?
The InChIKey is KVMRLSYEBJANGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3OS/c1-11(16-12(2)18-13(3)21-16)17-10-15(20)19-14-8-6-4-5-7-9-14/h11,14,17H,4-10H2,1-3H3,(H,19,20).
What are the key properties of N-cycloheptyl-2-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethylamino]acetamide?
N-cycloheptyl-2-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethylamino]acetamide 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-cycloheptyl-2-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethylamino]acetamide is sourced from PubChem (CID 62575829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).