N-ethyl-5-[2-pyridin-3-yl-4-[(2S)-pyrrolidin-2-yl]-1,3-thiazol-5-yl]-1H-pyrazole-3-carboxamide

C18H20N6OS — CID 46889202

IUPACN-ethyl-5-[2-pyridin-3-yl-4-[(2S)-pyrrolidin-2-yl]-1,3-thiazol-5-yl]-1H-pyrazole-3-carboxamide
SMILESCCNC(=O)c1cc(-c2sc(-c3cccnc3)nc2[C@@H]2CCCN2)[nH]n1
InChIInChI=1S/C18H20N6OS/c1-2-20-17(25)14-9-13(23-24-14)16-15(12-6-4-8-21-12)22-18(26-16)11-5-3-7-19-10-11/h3,5,7,9-10,12,21H,2,4,6,8H2,1H3,(H,20,25)(H,23,24)/t12-/m0/s1
InChIKeyBOCYZSUKEUEUKP-LBPRGKRZSA-N
MW368.47 g/mol
LogP2.77
Rot. Bonds5

About N-ethyl-5-[2-pyridin-3-yl-4-[(2S)-pyrrolidin-2-yl]-1,3-thiazol-5-yl]-1H-pyrazole-3-carboxamide

N-ethyl-5-[2-pyridin-3-yl-4-[(2S)-pyrrolidin-2-yl]-1,3-thiazol-5-yl]-1H-pyrazole-3-carboxamide (PubChem CID 46889202) has the molecular formula C18H20N6OS and a molecular weight of 368.47 g/mol. Its IUPAC name is N-ethyl-5-[2-pyridin-3-yl-4-[(2S)-pyrrolidin-2-yl]-1,3-thiazol-5-yl]-1H-pyrazole-3-carboxamide.

Molecular Properties

Compound NameN-ethyl-5-[2-pyridin-3-yl-4-[(2S)-pyrrolidin-2-yl]-1,3-thiazol-5-yl]-1H-pyrazole-3-carboxamide
PubChem CID46889202
Molecular FormulaC18H20N6OS
Molecular Weight368.47 g/mol
Exact Mass368.14
IUPAC NameN-ethyl-5-[2-pyridin-3-yl-4-[(2S)-pyrrolidin-2-yl]-1,3-thiazol-5-yl]-1H-pyrazole-3-carboxamide
SMILESCCNC(=O)c1cc(-c2sc(-c3cccnc3)nc2[C@@H]2CCCN2)[nH]n1
InChIInChI=1S/C18H20N6OS/c1-2-20-17(25)14-9-13(23-24-14)16-15(12-6-4-8-21-12)22-18(26-16)11-5-3-7-19-10-11/h3,5,7,9-10,12,21H,2,4,6,8H2,1H3,(H,20,25)(H,23,24)/t12-/m0/s1
InChIKeyBOCYZSUKEUEUKP-LBPRGKRZSA-N
XLogP2.77
TPSA95.59 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.47
LogP ≤ 52.77
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-5-[2-pyridin-3-yl-4-[(2S)-pyrrolidin-2-yl]-1,3-thiazol-5-yl]-1H-pyrazole-3-carboxamide?
The IUPAC name of N-ethyl-5-[2-pyridin-3-yl-4-[(2S)-pyrrolidin-2-yl]-1,3-thiazol-5-yl]-1H-pyrazole-3-carboxamide (CID 46889202) is N-ethyl-5-[2-pyridin-3-yl-4-[(2S)-pyrrolidin-2-yl]-1,3-thiazol-5-yl]-1H-pyrazole-3-carboxamide.
What is the SMILES notation for N-ethyl-5-[2-pyridin-3-yl-4-[(2S)-pyrrolidin-2-yl]-1,3-thiazol-5-yl]-1H-pyrazole-3-carboxamide?
The canonical SMILES for N-ethyl-5-[2-pyridin-3-yl-4-[(2S)-pyrrolidin-2-yl]-1,3-thiazol-5-yl]-1H-pyrazole-3-carboxamide is CCNC(=O)c1cc(-c2sc(-c3cccnc3)nc2[C@@H]2CCCN2)[nH]n1.
What is the InChIKey of N-ethyl-5-[2-pyridin-3-yl-4-[(2S)-pyrrolidin-2-yl]-1,3-thiazol-5-yl]-1H-pyrazole-3-carboxamide?
The InChIKey is BOCYZSUKEUEUKP-LBPRGKRZSA-N. The full InChI is InChI=1S/C18H20N6OS/c1-2-20-17(25)14-9-13(23-24-14)16-15(12-6-4-8-21-12)22-18(26-16)11-5-3-7-19-10-11/h3,5,7,9-10,12,21H,2,4,6,8H2,1H3,(H,20,25)(H,23,24)/t12-/m0/s1.
What are the key properties of N-ethyl-5-[2-pyridin-3-yl-4-[(2S)-pyrrolidin-2-yl]-1,3-thiazol-5-yl]-1H-pyrazole-3-carboxamide?
N-ethyl-5-[2-pyridin-3-yl-4-[(2S)-pyrrolidin-2-yl]-1,3-thiazol-5-yl]-1H-pyrazole-3-carboxamide has a molecular weight of 368.47 g/mol, XLogP of 2.77, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-5-[2-pyridin-3-yl-4-[(2S)-pyrrolidin-2-yl]-1,3-thiazol-5-yl]-1H-pyrazole-3-carboxamide is sourced from PubChem (CID 46889202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).