N-methyl-2-propan-2-yl-N-pyrrolidin-3-yl-1,3-thiazole-4-carboxamide

C12H19N3OS — CID 119552868

IUPACN-methyl-2-propan-2-yl-N-pyrrolidin-3-yl-1,3-thiazole-4-carboxamide
SMILESCC(C)c1nc(C(=O)N(C)C2CCNC2)cs1
InChIInChI=1S/C12H19N3OS/c1-8(2)11-14-10(7-17-11)12(16)15(3)9-4-5-13-6-9/h7-9,13H,4-6H2,1-3H3
InChIKeyDSQOQTDOHZCXLW-UHFFFAOYSA-N
MW253.37 g/mol
LogP1.70
Rot. Bonds3

About N-methyl-2-propan-2-yl-N-pyrrolidin-3-yl-1,3-thiazole-4-carboxamide

N-methyl-2-propan-2-yl-N-pyrrolidin-3-yl-1,3-thiazole-4-carboxamide (PubChem CID 119552868) has the molecular formula C12H19N3OS and a molecular weight of 253.37 g/mol. Its IUPAC name is N-methyl-2-propan-2-yl-N-pyrrolidin-3-yl-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-methyl-2-propan-2-yl-N-pyrrolidin-3-yl-1,3-thiazole-4-carboxamide
PubChem CID119552868
Molecular FormulaC12H19N3OS
Molecular Weight253.37 g/mol
Exact Mass253.12
IUPAC NameN-methyl-2-propan-2-yl-N-pyrrolidin-3-yl-1,3-thiazole-4-carboxamide
SMILESCC(C)c1nc(C(=O)N(C)C2CCNC2)cs1
InChIInChI=1S/C12H19N3OS/c1-8(2)11-14-10(7-17-11)12(16)15(3)9-4-5-13-6-9/h7-9,13H,4-6H2,1-3H3
InChIKeyDSQOQTDOHZCXLW-UHFFFAOYSA-N
XLogP1.70
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.37
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-benzyl-N-methyl-N-pyrrolidin-3-yl-1,3-thiazole-4-carboxamide;dihydrochloride
CID 119550827
2-(5-chlorothiophen-2-yl)-N-methyl-N-pyrrolidin-3-yl-1,3-thiazole-4-carboxamide;dihydrochloride
CID 119554017
2-(2,4-dichlorophenyl)-N-methyl-N-pyrrolidin-3-yl-1,3-thiazole-4-carboxamide
CID 119550263
2-(1-aminoethyl)-N-cycloheptyl-N-methyl-1,3-thiazole-4-carboxamide
CID 66390398
N-methyl-N-pyrrolidin-3-yl-2-[3-(trifluoromethyl)phenyl]-1,3-thiazole-4-carboxamide
CID 119553730
N-methyl-2-(4-propoxyphenyl)-N-pyrrolidin-3-yl-1,3-thiazole-4-carboxamide;hydrochloride
CID 119552224
N,2-dimethyl-4-propan-2-yl-N-[(3S)-pyrrolidin-3-yl]pyrimidine-5-carboxamide
CID 124613889
N-cyclohexyl-N-methyl-2-piperidin-4-yl-1,3-thiazole-4-carboxamide
CID 23765843
N-methyl-N-pyrrolidin-3-ylpyridine-4-carboxamide;dihydrochloride
CID 119551120
[(3aS,6aR)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]-(2-propan-2-yl-1,3-thiazol-4-yl)methanone
CID 120659684
N-methyl-4-propan-2-yl-N-pyrrolidin-3-ylpyrimidine-5-carboxamide
CID 119551523
4-tert-butyl-N-methyl-N-pyrrolidin-3-yl-1,3-thiazole-5-carboxamide
CID 119551712

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-propan-2-yl-N-pyrrolidin-3-yl-1,3-thiazole-4-carboxamide?
The IUPAC name of N-methyl-2-propan-2-yl-N-pyrrolidin-3-yl-1,3-thiazole-4-carboxamide (CID 119552868) is N-methyl-2-propan-2-yl-N-pyrrolidin-3-yl-1,3-thiazole-4-carboxamide.
What is the SMILES notation for N-methyl-2-propan-2-yl-N-pyrrolidin-3-yl-1,3-thiazole-4-carboxamide?
The canonical SMILES for N-methyl-2-propan-2-yl-N-pyrrolidin-3-yl-1,3-thiazole-4-carboxamide is CC(C)c1nc(C(=O)N(C)C2CCNC2)cs1.
What is the InChIKey of N-methyl-2-propan-2-yl-N-pyrrolidin-3-yl-1,3-thiazole-4-carboxamide?
The InChIKey is DSQOQTDOHZCXLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3OS/c1-8(2)11-14-10(7-17-11)12(16)15(3)9-4-5-13-6-9/h7-9,13H,4-6H2,1-3H3.
What are the key properties of N-methyl-2-propan-2-yl-N-pyrrolidin-3-yl-1,3-thiazole-4-carboxamide?
N-methyl-2-propan-2-yl-N-pyrrolidin-3-yl-1,3-thiazole-4-carboxamide has a molecular weight of 253.37 g/mol, XLogP of 1.70, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-propan-2-yl-N-pyrrolidin-3-yl-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 119552868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).