2-(cyclopropylmethylamino)-N-[1-(4-methyl-2-phenyl-1,3-thiazol-5-yl)ethyl]acetamide

C18H23N3OS — CID 119750102

IUPAC2-(cyclopropylmethylamino)-N-[1-(4-methyl-2-phenyl-1,3-thiazol-5-yl)ethyl]acetamide
SMILESCc1nc(-c2ccccc2)sc1C(C)NC(=O)CNCC1CC1
InChIInChI=1S/C18H23N3OS/c1-12(20-16(22)11-19-10-14-8-9-14)17-13(2)21-18(23-17)15-6-4-3-5-7-15/h3-7,12,14,19H,8-11H2,1-2H3,(H,20,22)
InChIKeyJHUKCSALOXCQEY-UHFFFAOYSA-N
MW329.47 g/mol
LogP3.30
Rot. Bonds7

About 2-(cyclopropylmethylamino)-N-[1-(4-methyl-2-phenyl-1,3-thiazol-5-yl)ethyl]acetamide

2-(cyclopropylmethylamino)-N-[1-(4-methyl-2-phenyl-1,3-thiazol-5-yl)ethyl]acetamide (PubChem CID 119750102) has the molecular formula C18H23N3OS and a molecular weight of 329.47 g/mol. Its IUPAC name is 2-(cyclopropylmethylamino)-N-[1-(4-methyl-2-phenyl-1,3-thiazol-5-yl)ethyl]acetamide.

Molecular Properties

Compound Name2-(cyclopropylmethylamino)-N-[1-(4-methyl-2-phenyl-1,3-thiazol-5-yl)ethyl]acetamide
PubChem CID119750102
Molecular FormulaC18H23N3OS
Molecular Weight329.47 g/mol
Exact Mass329.16
IUPAC Name2-(cyclopropylmethylamino)-N-[1-(4-methyl-2-phenyl-1,3-thiazol-5-yl)ethyl]acetamide
SMILESCc1nc(-c2ccccc2)sc1C(C)NC(=O)CNCC1CC1
InChIInChI=1S/C18H23N3OS/c1-12(20-16(22)11-19-10-14-8-9-14)17-13(2)21-18(23-17)15-6-4-3-5-7-15/h3-7,12,14,19H,8-11H2,1-2H3,(H,20,22)
InChIKeyJHUKCSALOXCQEY-UHFFFAOYSA-N
XLogP3.30
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.47
LogP ≤ 53.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(cyclopropylmethylamino)-N-[1-(4-methyl-2-phenyl-1,3-thiazol-5-yl)ethyl]acetamide?
The IUPAC name of 2-(cyclopropylmethylamino)-N-[1-(4-methyl-2-phenyl-1,3-thiazol-5-yl)ethyl]acetamide (CID 119750102) is 2-(cyclopropylmethylamino)-N-[1-(4-methyl-2-phenyl-1,3-thiazol-5-yl)ethyl]acetamide.
What is the SMILES notation for 2-(cyclopropylmethylamino)-N-[1-(4-methyl-2-phenyl-1,3-thiazol-5-yl)ethyl]acetamide?
The canonical SMILES for 2-(cyclopropylmethylamino)-N-[1-(4-methyl-2-phenyl-1,3-thiazol-5-yl)ethyl]acetamide is Cc1nc(-c2ccccc2)sc1C(C)NC(=O)CNCC1CC1.
What is the InChIKey of 2-(cyclopropylmethylamino)-N-[1-(4-methyl-2-phenyl-1,3-thiazol-5-yl)ethyl]acetamide?
The InChIKey is JHUKCSALOXCQEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3OS/c1-12(20-16(22)11-19-10-14-8-9-14)17-13(2)21-18(23-17)15-6-4-3-5-7-15/h3-7,12,14,19H,8-11H2,1-2H3,(H,20,22).
What are the key properties of 2-(cyclopropylmethylamino)-N-[1-(4-methyl-2-phenyl-1,3-thiazol-5-yl)ethyl]acetamide?
2-(cyclopropylmethylamino)-N-[1-(4-methyl-2-phenyl-1,3-thiazol-5-yl)ethyl]acetamide has a molecular weight of 329.47 g/mol, XLogP of 3.30, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopropylmethylamino)-N-[1-(4-methyl-2-phenyl-1,3-thiazol-5-yl)ethyl]acetamide is sourced from PubChem (CID 119750102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).