(2S)-N-[(4-methyl-1,3-thiazol-2-yl)methyl]-2-(pyrazol-1-ylmethyl)pyrrolidine-1-carboxamide

C14H19N5OS — CID 126434676

IUPAC(2S)-N-[(4-methyl-1,3-thiazol-2-yl)methyl]-2-(pyrazol-1-ylmethyl)pyrrolidine-1-carboxamide
SMILESCc1csc(CNC(=O)N2CCC[C@H]2Cn2cccn2)n1
InChIInChI=1S/C14H19N5OS/c1-11-10-21-13(17-11)8-15-14(20)19-7-2-4-12(19)9-18-6-3-5-16-18/h3,5-6,10,12H,2,4,7-9H2,1H3,(H,15,20)/t12-/m0/s1
InChIKeyAJJLNDLUINIOAG-LBPRGKRZSA-N
MW305.41 g/mol
LogP2.02
Rot. Bonds4

About (2S)-N-[(4-methyl-1,3-thiazol-2-yl)methyl]-2-(pyrazol-1-ylmethyl)pyrrolidine-1-carboxamide

(2S)-N-[(4-methyl-1,3-thiazol-2-yl)methyl]-2-(pyrazol-1-ylmethyl)pyrrolidine-1-carboxamide (PubChem CID 126434676) has the molecular formula C14H19N5OS and a molecular weight of 305.41 g/mol. Its IUPAC name is (2S)-N-[(4-methyl-1,3-thiazol-2-yl)methyl]-2-(pyrazol-1-ylmethyl)pyrrolidine-1-carboxamide.

Molecular Properties

Compound Name(2S)-N-[(4-methyl-1,3-thiazol-2-yl)methyl]-2-(pyrazol-1-ylmethyl)pyrrolidine-1-carboxamide
PubChem CID126434676
Molecular FormulaC14H19N5OS
Molecular Weight305.41 g/mol
Exact Mass305.13
IUPAC Name(2S)-N-[(4-methyl-1,3-thiazol-2-yl)methyl]-2-(pyrazol-1-ylmethyl)pyrrolidine-1-carboxamide
SMILESCc1csc(CNC(=O)N2CCC[C@H]2Cn2cccn2)n1
InChIInChI=1S/C14H19N5OS/c1-11-10-21-13(17-11)8-15-14(20)19-7-2-4-12(19)9-18-6-3-5-16-18/h3,5-6,10,12H,2,4,7-9H2,1H3,(H,15,20)/t12-/m0/s1
InChIKeyAJJLNDLUINIOAG-LBPRGKRZSA-N
XLogP2.02
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.41
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-[1-[(4-methyl-1,3-thiazol-2-yl)methylcarbamoyl]piperidin-2-yl]propanoic acid
CID 62212389
N-[[1-(2-methylphenyl)pyrazol-4-yl]methyl]-2-(pyrazol-1-ylmethyl)pyrrolidine-1-carboxamide
CID 121499385
(2R)-N-[(2,4-dichlorophenyl)methyl]-2-(pyrazol-1-ylmethyl)pyrrolidine-1-carboxamide
CID 126429505
(2R)-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]-2-(pyrazol-1-ylmethyl)pyrrolidine-1-carboxamide
CID 125169016
(2S)-2-(4-ethoxyphenyl)-N-[(4-methyl-1,3-thiazol-2-yl)methyl]pyrrolidine-1-carboxamide
CID 94048522
2-methylsulfanyl-1-[2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]ethanone
CID 56779161
(2S)-N-[2-(4-ethylpiperidin-1-yl)ethyl]-2-(pyrazol-1-ylmethyl)pyrrolidine-1-carboxamide
CID 126449702
2-(2-methyl-1,3-thiazol-4-yl)-1-[2-(pyrazol-1-ylmethyl)piperidin-1-yl]ethanone
CID 56778842
(4-methyl-1,3-thiazol-5-yl)-[(2S)-2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]methanone
CID 95327696
(2S)-N-[2-(cyclohexen-1-yl)ethyl]-2-(pyrazol-1-ylmethyl)pyrrolidine-1-carboxamide
CID 126425791
(2R)-N-[[5-(4-methoxyphenyl)-1H-pyrazol-4-yl]methyl]-2-(pyrazol-1-ylmethyl)pyrrolidine-1-carboxamide
CID 125442613
(2S)-N-(2-methyl-1,3-benzothiazol-6-yl)-2-(pyrazol-1-ylmethyl)pyrrolidine-1-carboxamide
CID 125178656

Frequently Asked Questions

What is the IUPAC name of (2S)-N-[(4-methyl-1,3-thiazol-2-yl)methyl]-2-(pyrazol-1-ylmethyl)pyrrolidine-1-carboxamide?
The IUPAC name of (2S)-N-[(4-methyl-1,3-thiazol-2-yl)methyl]-2-(pyrazol-1-ylmethyl)pyrrolidine-1-carboxamide (CID 126434676) is (2S)-N-[(4-methyl-1,3-thiazol-2-yl)methyl]-2-(pyrazol-1-ylmethyl)pyrrolidine-1-carboxamide.
What is the SMILES notation for (2S)-N-[(4-methyl-1,3-thiazol-2-yl)methyl]-2-(pyrazol-1-ylmethyl)pyrrolidine-1-carboxamide?
The canonical SMILES for (2S)-N-[(4-methyl-1,3-thiazol-2-yl)methyl]-2-(pyrazol-1-ylmethyl)pyrrolidine-1-carboxamide is Cc1csc(CNC(=O)N2CCC[C@H]2Cn2cccn2)n1.
What is the InChIKey of (2S)-N-[(4-methyl-1,3-thiazol-2-yl)methyl]-2-(pyrazol-1-ylmethyl)pyrrolidine-1-carboxamide?
The InChIKey is AJJLNDLUINIOAG-LBPRGKRZSA-N. The full InChI is InChI=1S/C14H19N5OS/c1-11-10-21-13(17-11)8-15-14(20)19-7-2-4-12(19)9-18-6-3-5-16-18/h3,5-6,10,12H,2,4,7-9H2,1H3,(H,15,20)/t12-/m0/s1.
What are the key properties of (2S)-N-[(4-methyl-1,3-thiazol-2-yl)methyl]-2-(pyrazol-1-ylmethyl)pyrrolidine-1-carboxamide?
(2S)-N-[(4-methyl-1,3-thiazol-2-yl)methyl]-2-(pyrazol-1-ylmethyl)pyrrolidine-1-carboxamide has a molecular weight of 305.41 g/mol, XLogP of 2.02, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[(4-methyl-1,3-thiazol-2-yl)methyl]-2-(pyrazol-1-ylmethyl)pyrrolidine-1-carboxamide is sourced from PubChem (CID 126434676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).