2-[2-(piperidin-4-ylamino)-5-(trifluoromethyl)pyrimidin-4-yl]-1,3-thiazole-4-carboxamide

C14H15F3N6OS — CID 171468960

IUPAC2-[2-(piperidin-4-ylamino)-5-(trifluoromethyl)pyrimidin-4-yl]-1,3-thiazole-4-carboxamide
SMILESNC(=O)c1csc(-c2nc(NC3CCNCC3)ncc2C(F)(F)F)n1
InChIInChI=1S/C14H15F3N6OS/c15-14(16,17)8-5-20-13(21-7-1-3-19-4-2-7)23-10(8)12-22-9(6-25-12)11(18)24/h5-7,19H,1-4H2,(H2,18,24)(H,20,21,23)
InChIKeyHSFRODXRXZAIRI-UHFFFAOYSA-N
MW372.38 g/mol
LogP1.88
Rot. Bonds4

About 2-[2-(piperidin-4-ylamino)-5-(trifluoromethyl)pyrimidin-4-yl]-1,3-thiazole-4-carboxamide

2-[2-(piperidin-4-ylamino)-5-(trifluoromethyl)pyrimidin-4-yl]-1,3-thiazole-4-carboxamide (PubChem CID 171468960) has the molecular formula C14H15F3N6OS and a molecular weight of 372.38 g/mol. Its IUPAC name is 2-[2-(piperidin-4-ylamino)-5-(trifluoromethyl)pyrimidin-4-yl]-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name2-[2-(piperidin-4-ylamino)-5-(trifluoromethyl)pyrimidin-4-yl]-1,3-thiazole-4-carboxamide
PubChem CID171468960
Molecular FormulaC14H15F3N6OS
Molecular Weight372.38 g/mol
Exact Mass372.10
IUPAC Name2-[2-(piperidin-4-ylamino)-5-(trifluoromethyl)pyrimidin-4-yl]-1,3-thiazole-4-carboxamide
SMILESNC(=O)c1csc(-c2nc(NC3CCNCC3)ncc2C(F)(F)F)n1
InChIInChI=1S/C14H15F3N6OS/c15-14(16,17)8-5-20-13(21-7-1-3-19-4-2-7)23-10(8)12-22-9(6-25-12)11(18)24/h5-7,19H,1-4H2,(H2,18,24)(H,20,21,23)
InChIKeyHSFRODXRXZAIRI-UHFFFAOYSA-N
XLogP1.88
TPSA105.82 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.38
LogP ≤ 51.88
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(piperidin-4-ylamino)-5-(trifluoromethyl)pyrimidin-4-yl]-1,3-thiazole-4-carboxamide?
The IUPAC name of 2-[2-(piperidin-4-ylamino)-5-(trifluoromethyl)pyrimidin-4-yl]-1,3-thiazole-4-carboxamide (CID 171468960) is 2-[2-(piperidin-4-ylamino)-5-(trifluoromethyl)pyrimidin-4-yl]-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 2-[2-(piperidin-4-ylamino)-5-(trifluoromethyl)pyrimidin-4-yl]-1,3-thiazole-4-carboxamide?
The canonical SMILES for 2-[2-(piperidin-4-ylamino)-5-(trifluoromethyl)pyrimidin-4-yl]-1,3-thiazole-4-carboxamide is NC(=O)c1csc(-c2nc(NC3CCNCC3)ncc2C(F)(F)F)n1.
What is the InChIKey of 2-[2-(piperidin-4-ylamino)-5-(trifluoromethyl)pyrimidin-4-yl]-1,3-thiazole-4-carboxamide?
The InChIKey is HSFRODXRXZAIRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15F3N6OS/c15-14(16,17)8-5-20-13(21-7-1-3-19-4-2-7)23-10(8)12-22-9(6-25-12)11(18)24/h5-7,19H,1-4H2,(H2,18,24)(H,20,21,23).
What are the key properties of 2-[2-(piperidin-4-ylamino)-5-(trifluoromethyl)pyrimidin-4-yl]-1,3-thiazole-4-carboxamide?
2-[2-(piperidin-4-ylamino)-5-(trifluoromethyl)pyrimidin-4-yl]-1,3-thiazole-4-carboxamide has a molecular weight of 372.38 g/mol, XLogP of 1.88, 4 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(piperidin-4-ylamino)-5-(trifluoromethyl)pyrimidin-4-yl]-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 171468960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).