[3-methyl-5-(methylamino)-1,2-thiazol-4-yl]-[2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]methanone

C14H19N5OS — CID 56779197

IUPAC[3-methyl-5-(methylamino)-1,2-thiazol-4-yl]-[2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]methanone
SMILESCNc1snc(C)c1C(=O)N1CCCC1Cn1cccn1
InChIInChI=1S/C14H19N5OS/c1-10-12(13(15-2)21-17-10)14(20)19-8-3-5-11(19)9-18-7-4-6-16-18/h4,6-7,11,15H,3,5,8-9H2,1-2H3
InChIKeyYEQIWYXYOJVZTA-UHFFFAOYSA-N
MW305.41 g/mol
LogP1.99
Rot. Bonds4

About [3-methyl-5-(methylamino)-1,2-thiazol-4-yl]-[2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]methanone

[3-methyl-5-(methylamino)-1,2-thiazol-4-yl]-[2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]methanone (PubChem CID 56779197) has the molecular formula C14H19N5OS and a molecular weight of 305.41 g/mol. Its IUPAC name is [3-methyl-5-(methylamino)-1,2-thiazol-4-yl]-[2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]methanone.

Molecular Properties

Compound Name[3-methyl-5-(methylamino)-1,2-thiazol-4-yl]-[2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]methanone
PubChem CID56779197
Molecular FormulaC14H19N5OS
Molecular Weight305.41 g/mol
Exact Mass305.13
IUPAC Name[3-methyl-5-(methylamino)-1,2-thiazol-4-yl]-[2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]methanone
SMILESCNc1snc(C)c1C(=O)N1CCCC1Cn1cccn1
InChIInChI=1S/C14H19N5OS/c1-10-12(13(15-2)21-17-10)14(20)19-8-3-5-11(19)9-18-7-4-6-16-18/h4,6-7,11,15H,3,5,8-9H2,1-2H3
InChIKeyYEQIWYXYOJVZTA-UHFFFAOYSA-N
XLogP1.99
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.41
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [3-methyl-5-(methylamino)-1,2-thiazol-4-yl]-[2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]methanone?
The IUPAC name of [3-methyl-5-(methylamino)-1,2-thiazol-4-yl]-[2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]methanone (CID 56779197) is [3-methyl-5-(methylamino)-1,2-thiazol-4-yl]-[2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]methanone.
What is the SMILES notation for [3-methyl-5-(methylamino)-1,2-thiazol-4-yl]-[2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]methanone?
The canonical SMILES for [3-methyl-5-(methylamino)-1,2-thiazol-4-yl]-[2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]methanone is CNc1snc(C)c1C(=O)N1CCCC1Cn1cccn1.
What is the InChIKey of [3-methyl-5-(methylamino)-1,2-thiazol-4-yl]-[2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]methanone?
The InChIKey is YEQIWYXYOJVZTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N5OS/c1-10-12(13(15-2)21-17-10)14(20)19-8-3-5-11(19)9-18-7-4-6-16-18/h4,6-7,11,15H,3,5,8-9H2,1-2H3.
What are the key properties of [3-methyl-5-(methylamino)-1,2-thiazol-4-yl]-[2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]methanone?
[3-methyl-5-(methylamino)-1,2-thiazol-4-yl]-[2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]methanone has a molecular weight of 305.41 g/mol, XLogP of 1.99, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [3-methyl-5-(methylamino)-1,2-thiazol-4-yl]-[2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]methanone is sourced from PubChem (CID 56779197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).