(3R,4R)-N,1-dimethyl-4-(2-methyl-1H-imidazol-5-yl)-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]pyrrolidine-3-carboxamide

C17H25N5OS — CID 70763061

IUPAC(3R,4R)-N,1-dimethyl-4-(2-methyl-1H-imidazol-5-yl)-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]pyrrolidine-3-carboxamide
SMILESCc1ncc([C@H]2CN(C)C[C@@H]2C(=O)N(C)CCc2scnc2C)[nH]1
InChIInChI=1S/C17H25N5OS/c1-11-16(24-10-19-11)5-6-22(4)17(23)14-9-21(3)8-13(14)15-7-18-12(2)20-15/h7,10,13-14H,5-6,8-9H2,1-4H3,(H,18,20)/t13-,14-/m0/s1
InChIKeyJDTYDKPEMRONKR-KBPBESRZSA-N
MW347.49 g/mol
LogP1.83
Rot. Bonds5

About (3R,4R)-N,1-dimethyl-4-(2-methyl-1H-imidazol-5-yl)-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]pyrrolidine-3-carboxamide

(3R,4R)-N,1-dimethyl-4-(2-methyl-1H-imidazol-5-yl)-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]pyrrolidine-3-carboxamide (PubChem CID 70763061) has the molecular formula C17H25N5OS and a molecular weight of 347.49 g/mol. Its IUPAC name is (3R,4R)-N,1-dimethyl-4-(2-methyl-1H-imidazol-5-yl)-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]pyrrolidine-3-carboxamide.

Molecular Properties

Compound Name(3R,4R)-N,1-dimethyl-4-(2-methyl-1H-imidazol-5-yl)-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]pyrrolidine-3-carboxamide
PubChem CID70763061
Molecular FormulaC17H25N5OS
Molecular Weight347.49 g/mol
Exact Mass347.18
IUPAC Name(3R,4R)-N,1-dimethyl-4-(2-methyl-1H-imidazol-5-yl)-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]pyrrolidine-3-carboxamide
SMILESCc1ncc([C@H]2CN(C)C[C@@H]2C(=O)N(C)CCc2scnc2C)[nH]1
InChIInChI=1S/C17H25N5OS/c1-11-16(24-10-19-11)5-6-22(4)17(23)14-9-21(3)8-13(14)15-7-18-12(2)20-15/h7,10,13-14H,5-6,8-9H2,1-4H3,(H,18,20)/t13-,14-/m0/s1
InChIKeyJDTYDKPEMRONKR-KBPBESRZSA-N
XLogP1.83
TPSA65.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.49
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(2R)-N-methyl-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]-2,5-dihydro-1H-pyrrole-2-carboxamide
CID 125438357
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CID 56911022
N-methyl-3-(2-methyl-1H-imidazol-5-yl)-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]benzamide
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CID 70733275
N-methyl-2-(4-methyl-1,3-thiazol-5-yl)-N-[(4-methyl-1,3-thiazol-5-yl)methyl]ethanamine
CID 134709892
N-methyl-2-(5-methyl-2,4-dioxopyrimidin-1-yl)-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]acetamide
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N-methyl-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]-5-oxo-1-(pyridin-3-ylmethyl)pyrrolidine-3-carboxamide
CID 70773722
N-methyl-N-[(5-methyl-1H-imidazol-2-yl)methyl]-3-(4-methyl-1,3-thiazol-5-yl)propan-1-amine
CID 28641728
(2-methyl-1H-imidazol-5-yl)-[(3S)-3-[[methyl-[(4-methyl-1,3-thiazol-5-yl)methyl]amino]methyl]pyrrolidin-1-yl]methanone
CID 129477463
2-tert-butyl-N-methyl-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]-6-oxo-1H-pyrimidine-5-carboxamide
CID 70729016
N-methyl-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]-5-oxo-1-(pyridin-2-ylmethyl)pyrrolidine-3-carboxamide
CID 72935080
trans-(1S,3R)-1-N,3-N,3-N,1,2,2-hexamethyl-1-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]cyclopentane-1,3-dicarboxamide
CID 72873298

Frequently Asked Questions

What is the IUPAC name of (3R,4R)-N,1-dimethyl-4-(2-methyl-1H-imidazol-5-yl)-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]pyrrolidine-3-carboxamide?
The IUPAC name of (3R,4R)-N,1-dimethyl-4-(2-methyl-1H-imidazol-5-yl)-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]pyrrolidine-3-carboxamide (CID 70763061) is (3R,4R)-N,1-dimethyl-4-(2-methyl-1H-imidazol-5-yl)-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]pyrrolidine-3-carboxamide.
What is the SMILES notation for (3R,4R)-N,1-dimethyl-4-(2-methyl-1H-imidazol-5-yl)-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]pyrrolidine-3-carboxamide?
The canonical SMILES for (3R,4R)-N,1-dimethyl-4-(2-methyl-1H-imidazol-5-yl)-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]pyrrolidine-3-carboxamide is Cc1ncc([C@H]2CN(C)C[C@@H]2C(=O)N(C)CCc2scnc2C)[nH]1.
What is the InChIKey of (3R,4R)-N,1-dimethyl-4-(2-methyl-1H-imidazol-5-yl)-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]pyrrolidine-3-carboxamide?
The InChIKey is JDTYDKPEMRONKR-KBPBESRZSA-N. The full InChI is InChI=1S/C17H25N5OS/c1-11-16(24-10-19-11)5-6-22(4)17(23)14-9-21(3)8-13(14)15-7-18-12(2)20-15/h7,10,13-14H,5-6,8-9H2,1-4H3,(H,18,20)/t13-,14-/m0/s1.
What are the key properties of (3R,4R)-N,1-dimethyl-4-(2-methyl-1H-imidazol-5-yl)-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]pyrrolidine-3-carboxamide?
(3R,4R)-N,1-dimethyl-4-(2-methyl-1H-imidazol-5-yl)-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]pyrrolidine-3-carboxamide has a molecular weight of 347.49 g/mol, XLogP of 1.83, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4R)-N,1-dimethyl-4-(2-methyl-1H-imidazol-5-yl)-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]pyrrolidine-3-carboxamide is sourced from PubChem (CID 70763061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).