4-methyl-2-pyrrol-1-yl-N-[1-[6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]-1,3-thiazole-5-carboxamide

C19H19F3N6OS — CID 91631381

IUPAC4-methyl-2-pyrrol-1-yl-N-[1-[6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]-1,3-thiazole-5-carboxamide
SMILESCc1nc(-n2cccc2)sc1C(=O)NC1CCN(c2cc(C(F)(F)F)ncn2)CC1
InChIInChI=1S/C19H19F3N6OS/c1-12-16(30-18(25-12)28-6-2-3-7-28)17(29)26-13-4-8-27(9-5-13)15-10-14(19(20,21)22)23-11-24-15/h2-3,6-7,10-11,13H,4-5,8-9H2,1H3,(H,26,29)
InChIKeyRSPVTZGWOGWKRU-UHFFFAOYSA-N
MW436.46 g/mol
LogP3.45
Rot. Bonds4

About 4-methyl-2-pyrrol-1-yl-N-[1-[6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]-1,3-thiazole-5-carboxamide

4-methyl-2-pyrrol-1-yl-N-[1-[6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]-1,3-thiazole-5-carboxamide (PubChem CID 91631381) has the molecular formula C19H19F3N6OS and a molecular weight of 436.46 g/mol. Its IUPAC name is 4-methyl-2-pyrrol-1-yl-N-[1-[6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name4-methyl-2-pyrrol-1-yl-N-[1-[6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]-1,3-thiazole-5-carboxamide
PubChem CID91631381
Molecular FormulaC19H19F3N6OS
Molecular Weight436.46 g/mol
Exact Mass436.13
IUPAC Name4-methyl-2-pyrrol-1-yl-N-[1-[6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]-1,3-thiazole-5-carboxamide
SMILESCc1nc(-n2cccc2)sc1C(=O)NC1CCN(c2cc(C(F)(F)F)ncn2)CC1
InChIInChI=1S/C19H19F3N6OS/c1-12-16(30-18(25-12)28-6-2-3-7-28)17(29)26-13-4-8-27(9-5-13)15-10-14(19(20,21)22)23-11-24-15/h2-3,6-7,10-11,13H,4-5,8-9H2,1H3,(H,26,29)
InChIKeyRSPVTZGWOGWKRU-UHFFFAOYSA-N
XLogP3.45
TPSA75.94 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.46
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-pyrrol-1-yl-N-[1-[6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]-1,3-thiazole-5-carboxamide?
The IUPAC name of 4-methyl-2-pyrrol-1-yl-N-[1-[6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]-1,3-thiazole-5-carboxamide (CID 91631381) is 4-methyl-2-pyrrol-1-yl-N-[1-[6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 4-methyl-2-pyrrol-1-yl-N-[1-[6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]-1,3-thiazole-5-carboxamide?
The canonical SMILES for 4-methyl-2-pyrrol-1-yl-N-[1-[6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]-1,3-thiazole-5-carboxamide is Cc1nc(-n2cccc2)sc1C(=O)NC1CCN(c2cc(C(F)(F)F)ncn2)CC1.
What is the InChIKey of 4-methyl-2-pyrrol-1-yl-N-[1-[6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]-1,3-thiazole-5-carboxamide?
The InChIKey is RSPVTZGWOGWKRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19F3N6OS/c1-12-16(30-18(25-12)28-6-2-3-7-28)17(29)26-13-4-8-27(9-5-13)15-10-14(19(20,21)22)23-11-24-15/h2-3,6-7,10-11,13H,4-5,8-9H2,1H3,(H,26,29).
What are the key properties of 4-methyl-2-pyrrol-1-yl-N-[1-[6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]-1,3-thiazole-5-carboxamide?
4-methyl-2-pyrrol-1-yl-N-[1-[6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]-1,3-thiazole-5-carboxamide has a molecular weight of 436.46 g/mol, XLogP of 3.45, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-pyrrol-1-yl-N-[1-[6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 91631381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).