N,N-dimethyl-2-[(2R)-1-(pyridine-2-carbonyl)pyrrolidin-2-yl]-1,3-thiazole-5-carboxamide

C16H18N4O2S — CID 124952535

IUPACN,N-dimethyl-2-[(2R)-1-(pyridine-2-carbonyl)pyrrolidin-2-yl]-1,3-thiazole-5-carboxamide
SMILESCN(C)C(=O)c1cnc([C@H]2CCCN2C(=O)c2ccccn2)s1
InChIInChI=1S/C16H18N4O2S/c1-19(2)16(22)13-10-18-14(23-13)12-7-5-9-20(12)15(21)11-6-3-4-8-17-11/h3-4,6,8,10,12H,5,7,9H2,1-2H3/t12-/m1/s1
InChIKeyDPBSBKRTXKIRNP-GFCCVEGCSA-N
MW330.41 g/mol
LogP2.22
Rot. Bonds3

About N,N-dimethyl-2-[(2R)-1-(pyridine-2-carbonyl)pyrrolidin-2-yl]-1,3-thiazole-5-carboxamide

N,N-dimethyl-2-[(2R)-1-(pyridine-2-carbonyl)pyrrolidin-2-yl]-1,3-thiazole-5-carboxamide (PubChem CID 124952535) has the molecular formula C16H18N4O2S and a molecular weight of 330.41 g/mol. Its IUPAC name is N,N-dimethyl-2-[(2R)-1-(pyridine-2-carbonyl)pyrrolidin-2-yl]-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound NameN,N-dimethyl-2-[(2R)-1-(pyridine-2-carbonyl)pyrrolidin-2-yl]-1,3-thiazole-5-carboxamide
PubChem CID124952535
Molecular FormulaC16H18N4O2S
Molecular Weight330.41 g/mol
Exact Mass330.12
IUPAC NameN,N-dimethyl-2-[(2R)-1-(pyridine-2-carbonyl)pyrrolidin-2-yl]-1,3-thiazole-5-carboxamide
SMILESCN(C)C(=O)c1cnc([C@H]2CCCN2C(=O)c2ccccn2)s1
InChIInChI=1S/C16H18N4O2S/c1-19(2)16(22)13-10-18-14(23-13)12-7-5-9-20(12)15(21)11-6-3-4-8-17-11/h3-4,6,8,10,12H,5,7,9H2,1-2H3/t12-/m1/s1
InChIKeyDPBSBKRTXKIRNP-GFCCVEGCSA-N
XLogP2.22
TPSA66.40 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.41
LogP ≤ 52.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N,N-dimethyl-2-(1-pyrimidin-2-ylpiperidin-2-yl)-1,3-thiazole-5-carboxamide
CID 110095106
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CID 168983000
2-[(2R)-1-benzoylpiperidin-2-yl]-N-methyl-1,3-thiazole-5-carboxamide
CID 124972626
N-methyl-2-[1-(thiophene-2-carbonyl)pyrrolidin-2-yl]-1,3-thiazole-5-carboxamide
CID 110110288
N,N-dimethyl-5-[1-(3-pyridin-2-ylpropanoyl)pyrrolidin-2-yl]thiophene-2-carboxamide
CID 45197404
[(2S)-2-(3-phenyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]-pyridin-2-ylmethanone
CID 91906389
pyridin-2-yl-[(2S)-2-[5-(pyridin-2-ylamino)-2-pyridinyl]pyrrolidin-1-yl]methanone
CID 95813329
4-[2-(dimethylamino)-4-[(2R)-1-(pyridine-2-carbonyl)pyrrolidin-2-yl]pyrimidin-5-yl]benzamide
CID 92616119
[(2R)-2-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)azepan-1-yl]-pyridin-2-ylmethanone
CID 97345487
[(4R)-4-(dimethylamino)azepan-1-yl]-pyridin-2-ylmethanone
CID 95710719
N,N-dimethyl-7-[(3S)-1-(pyridine-2-carbonyl)pyrrolidin-3-yl]thieno[2,3-b]pyrazine-6-carboxamide
CID 125027316
[2-(methylaminomethyl)pyrrolidin-1-yl]-pyridin-2-ylmethanone;dihydrochloride
CID 119651815

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-2-[(2R)-1-(pyridine-2-carbonyl)pyrrolidin-2-yl]-1,3-thiazole-5-carboxamide?
The IUPAC name of N,N-dimethyl-2-[(2R)-1-(pyridine-2-carbonyl)pyrrolidin-2-yl]-1,3-thiazole-5-carboxamide (CID 124952535) is N,N-dimethyl-2-[(2R)-1-(pyridine-2-carbonyl)pyrrolidin-2-yl]-1,3-thiazole-5-carboxamide.
What is the SMILES notation for N,N-dimethyl-2-[(2R)-1-(pyridine-2-carbonyl)pyrrolidin-2-yl]-1,3-thiazole-5-carboxamide?
The canonical SMILES for N,N-dimethyl-2-[(2R)-1-(pyridine-2-carbonyl)pyrrolidin-2-yl]-1,3-thiazole-5-carboxamide is CN(C)C(=O)c1cnc([C@H]2CCCN2C(=O)c2ccccn2)s1.
What is the InChIKey of N,N-dimethyl-2-[(2R)-1-(pyridine-2-carbonyl)pyrrolidin-2-yl]-1,3-thiazole-5-carboxamide?
The InChIKey is DPBSBKRTXKIRNP-GFCCVEGCSA-N. The full InChI is InChI=1S/C16H18N4O2S/c1-19(2)16(22)13-10-18-14(23-13)12-7-5-9-20(12)15(21)11-6-3-4-8-17-11/h3-4,6,8,10,12H,5,7,9H2,1-2H3/t12-/m1/s1.
What are the key properties of N,N-dimethyl-2-[(2R)-1-(pyridine-2-carbonyl)pyrrolidin-2-yl]-1,3-thiazole-5-carboxamide?
N,N-dimethyl-2-[(2R)-1-(pyridine-2-carbonyl)pyrrolidin-2-yl]-1,3-thiazole-5-carboxamide has a molecular weight of 330.41 g/mol, XLogP of 2.22, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-2-[(2R)-1-(pyridine-2-carbonyl)pyrrolidin-2-yl]-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 124952535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).