(4-methyl-1,3-thiazol-5-yl)-[2-[6-(2-propan-2-ylimidazol-1-yl)pyrazin-2-yl]pyrrolidin-1-yl]methanone

C19H22N6OS — CID 110267813

IUPAC(4-methyl-1,3-thiazol-5-yl)-[2-[6-(2-propan-2-ylimidazol-1-yl)pyrazin-2-yl]pyrrolidin-1-yl]methanone
SMILESCc1ncsc1C(=O)N1CCCC1c1cncc(-n2ccnc2C(C)C)n1
InChIInChI=1S/C19H22N6OS/c1-12(2)18-21-6-8-25(18)16-10-20-9-14(23-16)15-5-4-7-24(15)19(26)17-13(3)22-11-27-17/h6,8-12,15H,4-5,7H2,1-3H3
InChIKeyKRZFADGHDGNBMV-UHFFFAOYSA-N
MW382.49 g/mol
LogP3.53
Rot. Bonds4

About (4-methyl-1,3-thiazol-5-yl)-[2-[6-(2-propan-2-ylimidazol-1-yl)pyrazin-2-yl]pyrrolidin-1-yl]methanone

(4-methyl-1,3-thiazol-5-yl)-[2-[6-(2-propan-2-ylimidazol-1-yl)pyrazin-2-yl]pyrrolidin-1-yl]methanone (PubChem CID 110267813) has the molecular formula C19H22N6OS and a molecular weight of 382.49 g/mol. Its IUPAC name is (4-methyl-1,3-thiazol-5-yl)-[2-[6-(2-propan-2-ylimidazol-1-yl)pyrazin-2-yl]pyrrolidin-1-yl]methanone.

Molecular Properties

Compound Name(4-methyl-1,3-thiazol-5-yl)-[2-[6-(2-propan-2-ylimidazol-1-yl)pyrazin-2-yl]pyrrolidin-1-yl]methanone
PubChem CID110267813
Molecular FormulaC19H22N6OS
Molecular Weight382.49 g/mol
Exact Mass382.16
IUPAC Name(4-methyl-1,3-thiazol-5-yl)-[2-[6-(2-propan-2-ylimidazol-1-yl)pyrazin-2-yl]pyrrolidin-1-yl]methanone
SMILESCc1ncsc1C(=O)N1CCCC1c1cncc(-n2ccnc2C(C)C)n1
InChIInChI=1S/C19H22N6OS/c1-12(2)18-21-6-8-25(18)16-10-20-9-14(23-16)15-5-4-7-24(15)19(26)17-13(3)22-11-27-17/h6,8-12,15H,4-5,7H2,1-3H3
InChIKeyKRZFADGHDGNBMV-UHFFFAOYSA-N
XLogP3.53
TPSA76.80 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.49
LogP ≤ 53.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of (4-methyl-1,3-thiazol-5-yl)-[2-[6-(2-propan-2-ylimidazol-1-yl)pyrazin-2-yl]pyrrolidin-1-yl]methanone?
The IUPAC name of (4-methyl-1,3-thiazol-5-yl)-[2-[6-(2-propan-2-ylimidazol-1-yl)pyrazin-2-yl]pyrrolidin-1-yl]methanone (CID 110267813) is (4-methyl-1,3-thiazol-5-yl)-[2-[6-(2-propan-2-ylimidazol-1-yl)pyrazin-2-yl]pyrrolidin-1-yl]methanone.
What is the SMILES notation for (4-methyl-1,3-thiazol-5-yl)-[2-[6-(2-propan-2-ylimidazol-1-yl)pyrazin-2-yl]pyrrolidin-1-yl]methanone?
The canonical SMILES for (4-methyl-1,3-thiazol-5-yl)-[2-[6-(2-propan-2-ylimidazol-1-yl)pyrazin-2-yl]pyrrolidin-1-yl]methanone is Cc1ncsc1C(=O)N1CCCC1c1cncc(-n2ccnc2C(C)C)n1.
What is the InChIKey of (4-methyl-1,3-thiazol-5-yl)-[2-[6-(2-propan-2-ylimidazol-1-yl)pyrazin-2-yl]pyrrolidin-1-yl]methanone?
The InChIKey is KRZFADGHDGNBMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N6OS/c1-12(2)18-21-6-8-25(18)16-10-20-9-14(23-16)15-5-4-7-24(15)19(26)17-13(3)22-11-27-17/h6,8-12,15H,4-5,7H2,1-3H3.
What are the key properties of (4-methyl-1,3-thiazol-5-yl)-[2-[6-(2-propan-2-ylimidazol-1-yl)pyrazin-2-yl]pyrrolidin-1-yl]methanone?
(4-methyl-1,3-thiazol-5-yl)-[2-[6-(2-propan-2-ylimidazol-1-yl)pyrazin-2-yl]pyrrolidin-1-yl]methanone has a molecular weight of 382.49 g/mol, XLogP of 3.53, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methyl-1,3-thiazol-5-yl)-[2-[6-(2-propan-2-ylimidazol-1-yl)pyrazin-2-yl]pyrrolidin-1-yl]methanone is sourced from PubChem (CID 110267813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).