N-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]pyrrolidine-3-carboxamide

C16H19N3O3S — CID 119679962

IUPACN-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]pyrrolidine-3-carboxamide
SMILESCOc1ccc(OC)c(-c2csc(NC(=O)C3CCNC3)n2)c1
InChIInChI=1S/C16H19N3O3S/c1-21-11-3-4-14(22-2)12(7-11)13-9-23-16(18-13)19-15(20)10-5-6-17-8-10/h3-4,7,9-10,17H,5-6,8H2,1-2H3,(H,18,19,20)
InChIKeyJCCSPDLZYIAUGT-UHFFFAOYSA-N
MW333.41 g/mol
LogP2.38
Rot. Bonds5

About N-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]pyrrolidine-3-carboxamide

N-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]pyrrolidine-3-carboxamide (PubChem CID 119679962) has the molecular formula C16H19N3O3S and a molecular weight of 333.41 g/mol. Its IUPAC name is N-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]pyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]pyrrolidine-3-carboxamide
PubChem CID119679962
Molecular FormulaC16H19N3O3S
Molecular Weight333.41 g/mol
Exact Mass333.11
IUPAC NameN-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]pyrrolidine-3-carboxamide
SMILESCOc1ccc(OC)c(-c2csc(NC(=O)C3CCNC3)n2)c1
InChIInChI=1S/C16H19N3O3S/c1-21-11-3-4-14(22-2)12(7-11)13-9-23-16(18-13)19-15(20)10-5-6-17-8-10/h3-4,7,9-10,17H,5-6,8H2,1-2H3,(H,18,19,20)
InChIKeyJCCSPDLZYIAUGT-UHFFFAOYSA-N
XLogP2.38
TPSA72.48 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.41
LogP ≤ 52.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

3-amino-N-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]cyclopentane-1-carboxamide
CID 119679930
3-amino-N-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]cyclopentane-1-carboxamide;hydrochloride
CID 119679929
N-[4-(3-chloro-4-methoxyphenyl)-1,3-thiazol-2-yl]pyrrolidine-3-carboxamide;hydrochloride
CID 86780136
N-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]propanamide
CID 861937
N-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]-3,4-dihydro-2H-chromene-3-carboxamide
CID 134044812
N-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]-2-(4-methoxyphenyl)acetamide
CID 4263247
N-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]-1-(2-phenoxyacetyl)piperidine-4-carboxamide
CID 46409422
N-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]-1-(4-fluorobenzoyl)piperidine-3-carboxamide
CID 24534942
3-cyclopentyl-N-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]propanamide
CID 8873226
(2S,5R)-5-(aminomethyl)-N-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]oxolane-2-carboxamide
CID 120783542
N-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]-5-methylpyrazine-2-carboxamide
CID 7924940
2-N,6-N-bis[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]pyridine-2,6-dicarboxamide
CID 3422188

Frequently Asked Questions

What is the IUPAC name of N-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]pyrrolidine-3-carboxamide?
The IUPAC name of N-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]pyrrolidine-3-carboxamide (CID 119679962) is N-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]pyrrolidine-3-carboxamide.
What is the SMILES notation for N-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]pyrrolidine-3-carboxamide?
The canonical SMILES for N-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]pyrrolidine-3-carboxamide is COc1ccc(OC)c(-c2csc(NC(=O)C3CCNC3)n2)c1.
What is the InChIKey of N-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]pyrrolidine-3-carboxamide?
The InChIKey is JCCSPDLZYIAUGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O3S/c1-21-11-3-4-14(22-2)12(7-11)13-9-23-16(18-13)19-15(20)10-5-6-17-8-10/h3-4,7,9-10,17H,5-6,8H2,1-2H3,(H,18,19,20).
What are the key properties of N-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]pyrrolidine-3-carboxamide?
N-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]pyrrolidine-3-carboxamide has a molecular weight of 333.41 g/mol, XLogP of 2.38, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]pyrrolidine-3-carboxamide is sourced from PubChem (CID 119679962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).