4-tert-butyl-N-methyl-N-pyrrolidin-3-yl-1,3-thiazole-5-carboxamide

C13H21N3OS — CID 119551712

IUPAC4-tert-butyl-N-methyl-N-pyrrolidin-3-yl-1,3-thiazole-5-carboxamide
SMILESCN(C(=O)c1scnc1C(C)(C)C)C1CCNC1
InChIInChI=1S/C13H21N3OS/c1-13(2,3)11-10(18-8-15-11)12(17)16(4)9-5-6-14-7-9/h8-9,14H,5-7H2,1-4H3
InChIKeyYHKWLCAARYMHDZ-UHFFFAOYSA-N
MW267.40 g/mol
LogP1.87
Rot. Bonds2

About 4-tert-butyl-N-methyl-N-pyrrolidin-3-yl-1,3-thiazole-5-carboxamide

4-tert-butyl-N-methyl-N-pyrrolidin-3-yl-1,3-thiazole-5-carboxamide (PubChem CID 119551712) has the molecular formula C13H21N3OS and a molecular weight of 267.40 g/mol. Its IUPAC name is 4-tert-butyl-N-methyl-N-pyrrolidin-3-yl-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name4-tert-butyl-N-methyl-N-pyrrolidin-3-yl-1,3-thiazole-5-carboxamide
PubChem CID119551712
Molecular FormulaC13H21N3OS
Molecular Weight267.40 g/mol
Exact Mass267.14
IUPAC Name4-tert-butyl-N-methyl-N-pyrrolidin-3-yl-1,3-thiazole-5-carboxamide
SMILESCN(C(=O)c1scnc1C(C)(C)C)C1CCNC1
InChIInChI=1S/C13H21N3OS/c1-13(2,3)11-10(18-8-15-11)12(17)16(4)9-5-6-14-7-9/h8-9,14H,5-7H2,1-4H3
InChIKeyYHKWLCAARYMHDZ-UHFFFAOYSA-N
XLogP1.87
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.40
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-tert-butyl-N-piperidin-4-yl-1,3-thiazole-5-carboxamide
CID 119387512
4-tert-butyl-N-(3-methylpiperidin-4-yl)-1,3-thiazole-5-carboxamide;dihydrochloride
CID 120557762
N-methyl-2-propan-2-yl-N-pyrrolidin-3-yl-1,3-thiazole-4-carboxamide
CID 119552868
N-methyl-N-[(3R)-pyrrolidin-3-yl]thiophene-2-carboxamide
CID 71640939
3,5-dimethoxy-N-methyl-N-pyrrolidin-3-ylbenzamide
CID 60805831
N-methyl-N-pyrrolidin-3-ylpyridine-4-carboxamide;dihydrochloride
CID 119551120
N,2-dimethyl-4-phenyl-N-pyrrolidin-3-yl-1,3-thiazole-5-carboxamide
CID 119549917
N-methyl-N-pyrrolidin-3-yl-5-(trifluoromethyl)pyridine-2-carboxamide;dihydrochloride
CID 119552569
2-cyclopentyl-N,4-dimethyl-N-pyrrolidin-3-yl-1,3-thiazole-5-carboxamide
CID 119554200
1-tert-butyl-N-methyl-N-pyrrolidin-3-ylpyrazole-4-carboxamide;hydrochloride
CID 119550148
N,3-dimethyl-N-piperidin-3-ylthiophene-2-carboxamide;hydrochloride
CID 66570141
N,3,5-trimethyl-N-pyrrolidin-3-ylbenzamide;hydrochloride
CID 119551819

Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-N-methyl-N-pyrrolidin-3-yl-1,3-thiazole-5-carboxamide?
The IUPAC name of 4-tert-butyl-N-methyl-N-pyrrolidin-3-yl-1,3-thiazole-5-carboxamide (CID 119551712) is 4-tert-butyl-N-methyl-N-pyrrolidin-3-yl-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 4-tert-butyl-N-methyl-N-pyrrolidin-3-yl-1,3-thiazole-5-carboxamide?
The canonical SMILES for 4-tert-butyl-N-methyl-N-pyrrolidin-3-yl-1,3-thiazole-5-carboxamide is CN(C(=O)c1scnc1C(C)(C)C)C1CCNC1.
What is the InChIKey of 4-tert-butyl-N-methyl-N-pyrrolidin-3-yl-1,3-thiazole-5-carboxamide?
The InChIKey is YHKWLCAARYMHDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3OS/c1-13(2,3)11-10(18-8-15-11)12(17)16(4)9-5-6-14-7-9/h8-9,14H,5-7H2,1-4H3.
What are the key properties of 4-tert-butyl-N-methyl-N-pyrrolidin-3-yl-1,3-thiazole-5-carboxamide?
4-tert-butyl-N-methyl-N-pyrrolidin-3-yl-1,3-thiazole-5-carboxamide has a molecular weight of 267.40 g/mol, XLogP of 1.87, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-N-methyl-N-pyrrolidin-3-yl-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 119551712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).