4-methyl-N-(2-pyrrolidin-2-ylethyl)-1,3-thiazole-5-carboxamide

C11H17N3OS — CID 114793983

IUPAC4-methyl-N-(2-pyrrolidin-2-ylethyl)-1,3-thiazole-5-carboxamide
SMILESCc1ncsc1C(=O)NCCC1CCCN1
InChIInChI=1S/C11H17N3OS/c1-8-10(16-7-14-8)11(15)13-6-4-9-3-2-5-12-9/h7,9,12H,2-6H2,1H3,(H,13,15)
InChIKeyCEJBOCNRZHYRLM-UHFFFAOYSA-N
MW239.34 g/mol
LogP1.32
Rot. Bonds4

About 4-methyl-N-(2-pyrrolidin-2-ylethyl)-1,3-thiazole-5-carboxamide

4-methyl-N-(2-pyrrolidin-2-ylethyl)-1,3-thiazole-5-carboxamide (PubChem CID 114793983) has the molecular formula C11H17N3OS and a molecular weight of 239.34 g/mol. Its IUPAC name is 4-methyl-N-(2-pyrrolidin-2-ylethyl)-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name4-methyl-N-(2-pyrrolidin-2-ylethyl)-1,3-thiazole-5-carboxamide
PubChem CID114793983
Molecular FormulaC11H17N3OS
Molecular Weight239.34 g/mol
Exact Mass239.11
IUPAC Name4-methyl-N-(2-pyrrolidin-2-ylethyl)-1,3-thiazole-5-carboxamide
SMILESCc1ncsc1C(=O)NCCC1CCCN1
InChIInChI=1S/C11H17N3OS/c1-8-10(16-7-14-8)11(15)13-6-4-9-3-2-5-12-9/h7,9,12H,2-6H2,1H3,(H,13,15)
InChIKeyCEJBOCNRZHYRLM-UHFFFAOYSA-N
XLogP1.32
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.34
LogP ≤ 51.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-methyl-N-(2-piperidin-3-ylethyl)-1,3-thiazole-5-carboxamide;dihydrochloride
CID 119555064
4-methyl-N-(2-pyrrolidin-3-ylethyl)-1,3-thiazole-5-carboxamide;dihydrochloride
CID 119533474
5-methyl-N-[2-[(2S)-pyrrolidin-2-yl]ethyl]pyrazine-2-carboxamide
CID 104955274
N-[2-[(2R)-pyrrolidin-2-yl]ethyl]-1,3-thiazole-4-carboxamide
CID 104971777
N-(2-methoxyethyl)-4-methyl-N-(pyrrolidin-2-ylmethyl)-1,3-thiazole-5-carboxamide
CID 106611726
4-methyl-N-(piperidin-3-ylmethyl)-1,3-thiazole-5-carboxamide;dihydrochloride
CID 119459915
N-(cyclopropylmethyl)-4-methyl-1,3-thiazole-5-carboxamide
CID 126987991
N-butyl-4-methyl-1,3-thiazole-5-carboxamide
CID 110848200
5-methyl-N-[2-[(2R)-pyrrolidin-2-yl]ethyl]furan-2-carboxamide
CID 104972070
2,5-dimethyl-N-(2-pyrrolidin-2-ylethyl)benzamide
CID 114793749
N-[2-[(2S)-pyrrolidin-2-yl]ethyl]pyridine-2-carboxamide
CID 104955318
5-bromo-4-methyl-N-[2-[(2S)-pyrrolidin-2-yl]ethyl]thiophene-2-carboxamide
CID 104955216

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-(2-pyrrolidin-2-ylethyl)-1,3-thiazole-5-carboxamide?
The IUPAC name of 4-methyl-N-(2-pyrrolidin-2-ylethyl)-1,3-thiazole-5-carboxamide (CID 114793983) is 4-methyl-N-(2-pyrrolidin-2-ylethyl)-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 4-methyl-N-(2-pyrrolidin-2-ylethyl)-1,3-thiazole-5-carboxamide?
The canonical SMILES for 4-methyl-N-(2-pyrrolidin-2-ylethyl)-1,3-thiazole-5-carboxamide is Cc1ncsc1C(=O)NCCC1CCCN1.
What is the InChIKey of 4-methyl-N-(2-pyrrolidin-2-ylethyl)-1,3-thiazole-5-carboxamide?
The InChIKey is CEJBOCNRZHYRLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3OS/c1-8-10(16-7-14-8)11(15)13-6-4-9-3-2-5-12-9/h7,9,12H,2-6H2,1H3,(H,13,15).
What are the key properties of 4-methyl-N-(2-pyrrolidin-2-ylethyl)-1,3-thiazole-5-carboxamide?
4-methyl-N-(2-pyrrolidin-2-ylethyl)-1,3-thiazole-5-carboxamide has a molecular weight of 239.34 g/mol, XLogP of 1.32, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-(2-pyrrolidin-2-ylethyl)-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 114793983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).