N,2-dimethyl-4-phenyl-N-pyrrolidin-3-yl-1,3-thiazole-5-carboxamide

C16H19N3OS — CID 119549917

IUPACN,2-dimethyl-4-phenyl-N-pyrrolidin-3-yl-1,3-thiazole-5-carboxamide
SMILESCc1nc(-c2ccccc2)c(C(=O)N(C)C2CCNC2)s1
InChIInChI=1S/C16H19N3OS/c1-11-18-14(12-6-4-3-5-7-12)15(21-11)16(20)19(2)13-8-9-17-10-13/h3-7,13,17H,8-10H2,1-2H3
InChIKeyPQDQFGBOSBTNFE-UHFFFAOYSA-N
MW301.42 g/mol
LogP2.55
Rot. Bonds3

About N,2-dimethyl-4-phenyl-N-pyrrolidin-3-yl-1,3-thiazole-5-carboxamide

N,2-dimethyl-4-phenyl-N-pyrrolidin-3-yl-1,3-thiazole-5-carboxamide (PubChem CID 119549917) has the molecular formula C16H19N3OS and a molecular weight of 301.42 g/mol. Its IUPAC name is N,2-dimethyl-4-phenyl-N-pyrrolidin-3-yl-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound NameN,2-dimethyl-4-phenyl-N-pyrrolidin-3-yl-1,3-thiazole-5-carboxamide
PubChem CID119549917
Molecular FormulaC16H19N3OS
Molecular Weight301.42 g/mol
Exact Mass301.12
IUPAC NameN,2-dimethyl-4-phenyl-N-pyrrolidin-3-yl-1,3-thiazole-5-carboxamide
SMILESCc1nc(-c2ccccc2)c(C(=O)N(C)C2CCNC2)s1
InChIInChI=1S/C16H19N3OS/c1-11-18-14(12-6-4-3-5-7-12)15(21-11)16(20)19(2)13-8-9-17-10-13/h3-7,13,17H,8-10H2,1-2H3
InChIKeyPQDQFGBOSBTNFE-UHFFFAOYSA-N
XLogP2.55
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.42
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N,2-dimethyl-4-phenyl-N-pyrrolidin-3-yl-1,3-thiazole-5-carboxamide?
The IUPAC name of N,2-dimethyl-4-phenyl-N-pyrrolidin-3-yl-1,3-thiazole-5-carboxamide (CID 119549917) is N,2-dimethyl-4-phenyl-N-pyrrolidin-3-yl-1,3-thiazole-5-carboxamide.
What is the SMILES notation for N,2-dimethyl-4-phenyl-N-pyrrolidin-3-yl-1,3-thiazole-5-carboxamide?
The canonical SMILES for N,2-dimethyl-4-phenyl-N-pyrrolidin-3-yl-1,3-thiazole-5-carboxamide is Cc1nc(-c2ccccc2)c(C(=O)N(C)C2CCNC2)s1.
What is the InChIKey of N,2-dimethyl-4-phenyl-N-pyrrolidin-3-yl-1,3-thiazole-5-carboxamide?
The InChIKey is PQDQFGBOSBTNFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3OS/c1-11-18-14(12-6-4-3-5-7-12)15(21-11)16(20)19(2)13-8-9-17-10-13/h3-7,13,17H,8-10H2,1-2H3.
What are the key properties of N,2-dimethyl-4-phenyl-N-pyrrolidin-3-yl-1,3-thiazole-5-carboxamide?
N,2-dimethyl-4-phenyl-N-pyrrolidin-3-yl-1,3-thiazole-5-carboxamide has a molecular weight of 301.42 g/mol, XLogP of 2.55, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,2-dimethyl-4-phenyl-N-pyrrolidin-3-yl-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 119549917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).