N-(cyclopropylmethyl)-2-phenyl-N-propyl-1,3-thiazole-5-carboxamide

C17H20N2OS — CID 86991083

IUPACN-(cyclopropylmethyl)-2-phenyl-N-propyl-1,3-thiazole-5-carboxamide
SMILESCCCN(CC1CC1)C(=O)c1cnc(-c2ccccc2)s1
InChIInChI=1S/C17H20N2OS/c1-2-10-19(12-13-8-9-13)17(20)15-11-18-16(21-15)14-6-4-3-5-7-14/h3-7,11,13H,2,8-10,12H2,1H3
InChIKeyAUPHUKCQROLISE-UHFFFAOYSA-N
MW300.43 g/mol
LogP4.07
Rot. Bonds6

About N-(cyclopropylmethyl)-2-phenyl-N-propyl-1,3-thiazole-5-carboxamide

N-(cyclopropylmethyl)-2-phenyl-N-propyl-1,3-thiazole-5-carboxamide (PubChem CID 86991083) has the molecular formula C17H20N2OS and a molecular weight of 300.43 g/mol. Its IUPAC name is N-(cyclopropylmethyl)-2-phenyl-N-propyl-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound NameN-(cyclopropylmethyl)-2-phenyl-N-propyl-1,3-thiazole-5-carboxamide
PubChem CID86991083
Molecular FormulaC17H20N2OS
Molecular Weight300.43 g/mol
Exact Mass300.13
IUPAC NameN-(cyclopropylmethyl)-2-phenyl-N-propyl-1,3-thiazole-5-carboxamide
SMILESCCCN(CC1CC1)C(=O)c1cnc(-c2ccccc2)s1
InChIInChI=1S/C17H20N2OS/c1-2-10-19(12-13-8-9-13)17(20)15-11-18-16(21-15)14-6-4-3-5-7-14/h3-7,11,13H,2,8-10,12H2,1H3
InChIKeyAUPHUKCQROLISE-UHFFFAOYSA-N
XLogP4.07
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.43
LogP ≤ 54.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(cyclopropylmethyl)-2-phenyl-N-propyl-1,3-thiazole-5-carboxamide?
The IUPAC name of N-(cyclopropylmethyl)-2-phenyl-N-propyl-1,3-thiazole-5-carboxamide (CID 86991083) is N-(cyclopropylmethyl)-2-phenyl-N-propyl-1,3-thiazole-5-carboxamide.
What is the SMILES notation for N-(cyclopropylmethyl)-2-phenyl-N-propyl-1,3-thiazole-5-carboxamide?
The canonical SMILES for N-(cyclopropylmethyl)-2-phenyl-N-propyl-1,3-thiazole-5-carboxamide is CCCN(CC1CC1)C(=O)c1cnc(-c2ccccc2)s1.
What is the InChIKey of N-(cyclopropylmethyl)-2-phenyl-N-propyl-1,3-thiazole-5-carboxamide?
The InChIKey is AUPHUKCQROLISE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2OS/c1-2-10-19(12-13-8-9-13)17(20)15-11-18-16(21-15)14-6-4-3-5-7-14/h3-7,11,13H,2,8-10,12H2,1H3.
What are the key properties of N-(cyclopropylmethyl)-2-phenyl-N-propyl-1,3-thiazole-5-carboxamide?
N-(cyclopropylmethyl)-2-phenyl-N-propyl-1,3-thiazole-5-carboxamide has a molecular weight of 300.43 g/mol, XLogP of 4.07, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopropylmethyl)-2-phenyl-N-propyl-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 86991083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).