N-[4-[[cyclopropylmethyl(propyl)amino]methyl]-1,3-thiazol-2-yl]-N-(2-ethylphenyl)acetamide

C21H29N3OS — CID 78822809

IUPACN-[4-[[cyclopropylmethyl(propyl)amino]methyl]-1,3-thiazol-2-yl]-N-(2-ethylphenyl)acetamide
SMILESCCCN(Cc1csc(N(C(C)=O)c2ccccc2CC)n1)CC1CC1
InChIInChI=1S/C21H29N3OS/c1-4-12-23(13-17-10-11-17)14-19-15-26-21(22-19)24(16(3)25)20-9-7-6-8-18(20)5-2/h6-9,15,17H,4-5,10-14H2,1-3H3
InChIKeyDWESGMMHOKXJSP-UHFFFAOYSA-N
MW371.55 g/mol
LogP5.01
Rot. Bonds9

About N-[4-[[cyclopropylmethyl(propyl)amino]methyl]-1,3-thiazol-2-yl]-N-(2-ethylphenyl)acetamide

N-[4-[[cyclopropylmethyl(propyl)amino]methyl]-1,3-thiazol-2-yl]-N-(2-ethylphenyl)acetamide (PubChem CID 78822809) has the molecular formula C21H29N3OS and a molecular weight of 371.55 g/mol. Its IUPAC name is N-[4-[[cyclopropylmethyl(propyl)amino]methyl]-1,3-thiazol-2-yl]-N-(2-ethylphenyl)acetamide.

Molecular Properties

Compound NameN-[4-[[cyclopropylmethyl(propyl)amino]methyl]-1,3-thiazol-2-yl]-N-(2-ethylphenyl)acetamide
PubChem CID78822809
Molecular FormulaC21H29N3OS
Molecular Weight371.55 g/mol
Exact Mass371.20
IUPAC NameN-[4-[[cyclopropylmethyl(propyl)amino]methyl]-1,3-thiazol-2-yl]-N-(2-ethylphenyl)acetamide
SMILESCCCN(Cc1csc(N(C(C)=O)c2ccccc2CC)n1)CC1CC1
InChIInChI=1S/C21H29N3OS/c1-4-12-23(13-17-10-11-17)14-19-15-26-21(22-19)24(16(3)25)20-9-7-6-8-18(20)5-2/h6-9,15,17H,4-5,10-14H2,1-3H3
InChIKeyDWESGMMHOKXJSP-UHFFFAOYSA-N
XLogP5.01
TPSA36.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500371.55
LogP ≤ 55.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[4-[[cyclopropylmethyl(propyl)amino]methyl]-1,3-thiazol-2-yl]-N-(2-ethylphenyl)acetamide?
The IUPAC name of N-[4-[[cyclopropylmethyl(propyl)amino]methyl]-1,3-thiazol-2-yl]-N-(2-ethylphenyl)acetamide (CID 78822809) is N-[4-[[cyclopropylmethyl(propyl)amino]methyl]-1,3-thiazol-2-yl]-N-(2-ethylphenyl)acetamide.
What is the SMILES notation for N-[4-[[cyclopropylmethyl(propyl)amino]methyl]-1,3-thiazol-2-yl]-N-(2-ethylphenyl)acetamide?
The canonical SMILES for N-[4-[[cyclopropylmethyl(propyl)amino]methyl]-1,3-thiazol-2-yl]-N-(2-ethylphenyl)acetamide is CCCN(Cc1csc(N(C(C)=O)c2ccccc2CC)n1)CC1CC1.
What is the InChIKey of N-[4-[[cyclopropylmethyl(propyl)amino]methyl]-1,3-thiazol-2-yl]-N-(2-ethylphenyl)acetamide?
The InChIKey is DWESGMMHOKXJSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29N3OS/c1-4-12-23(13-17-10-11-17)14-19-15-26-21(22-19)24(16(3)25)20-9-7-6-8-18(20)5-2/h6-9,15,17H,4-5,10-14H2,1-3H3.
What are the key properties of N-[4-[[cyclopropylmethyl(propyl)amino]methyl]-1,3-thiazol-2-yl]-N-(2-ethylphenyl)acetamide?
N-[4-[[cyclopropylmethyl(propyl)amino]methyl]-1,3-thiazol-2-yl]-N-(2-ethylphenyl)acetamide has a molecular weight of 371.55 g/mol, XLogP of 5.01, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[cyclopropylmethyl(propyl)amino]methyl]-1,3-thiazol-2-yl]-N-(2-ethylphenyl)acetamide is sourced from PubChem (CID 78822809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).