N-(2-aminoethyl)-2-[2-(N,3,5-trimethylanilino)pyrimidin-4-yl]-1,3-thiazole-5-carboxamide

C19H22N6OS — CID 71101623

IUPACN-(2-aminoethyl)-2-[2-(N,3,5-trimethylanilino)pyrimidin-4-yl]-1,3-thiazole-5-carboxamide
SMILESCc1cc(C)cc(N(C)c2nccc(-c3ncc(C(=O)NCCN)s3)n2)c1
InChIInChI=1S/C19H22N6OS/c1-12-8-13(2)10-14(9-12)25(3)19-22-6-4-15(24-19)18-23-11-16(27-18)17(26)21-7-5-20/h4,6,8-11H,5,7,20H2,1-3H3,(H,21,26)
InChIKeyGWQDUWZNZMMMMM-UHFFFAOYSA-N
MW382.49 g/mol
LogP2.67
Rot. Bonds6

About N-(2-aminoethyl)-2-[2-(N,3,5-trimethylanilino)pyrimidin-4-yl]-1,3-thiazole-5-carboxamide

N-(2-aminoethyl)-2-[2-(N,3,5-trimethylanilino)pyrimidin-4-yl]-1,3-thiazole-5-carboxamide (PubChem CID 71101623) has the molecular formula C19H22N6OS and a molecular weight of 382.49 g/mol. Its IUPAC name is N-(2-aminoethyl)-2-[2-(N,3,5-trimethylanilino)pyrimidin-4-yl]-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound NameN-(2-aminoethyl)-2-[2-(N,3,5-trimethylanilino)pyrimidin-4-yl]-1,3-thiazole-5-carboxamide
PubChem CID71101623
Molecular FormulaC19H22N6OS
Molecular Weight382.49 g/mol
Exact Mass382.16
IUPAC NameN-(2-aminoethyl)-2-[2-(N,3,5-trimethylanilino)pyrimidin-4-yl]-1,3-thiazole-5-carboxamide
SMILESCc1cc(C)cc(N(C)c2nccc(-c3ncc(C(=O)NCCN)s3)n2)c1
InChIInChI=1S/C19H22N6OS/c1-12-8-13(2)10-14(9-12)25(3)19-22-6-4-15(24-19)18-23-11-16(27-18)17(26)21-7-5-20/h4,6,8-11H,5,7,20H2,1-3H3,(H,21,26)
InChIKeyGWQDUWZNZMMMMM-UHFFFAOYSA-N
XLogP2.67
TPSA97.03 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.49
LogP ≤ 52.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-(2-aminoethyl)-2-[2-(N,3,5-trimethylanilino)pyrimidin-4-yl]-1,3-thiazole-5-carboxamide?
The IUPAC name of N-(2-aminoethyl)-2-[2-(N,3,5-trimethylanilino)pyrimidin-4-yl]-1,3-thiazole-5-carboxamide (CID 71101623) is N-(2-aminoethyl)-2-[2-(N,3,5-trimethylanilino)pyrimidin-4-yl]-1,3-thiazole-5-carboxamide.
What is the SMILES notation for N-(2-aminoethyl)-2-[2-(N,3,5-trimethylanilino)pyrimidin-4-yl]-1,3-thiazole-5-carboxamide?
The canonical SMILES for N-(2-aminoethyl)-2-[2-(N,3,5-trimethylanilino)pyrimidin-4-yl]-1,3-thiazole-5-carboxamide is Cc1cc(C)cc(N(C)c2nccc(-c3ncc(C(=O)NCCN)s3)n2)c1.
What is the InChIKey of N-(2-aminoethyl)-2-[2-(N,3,5-trimethylanilino)pyrimidin-4-yl]-1,3-thiazole-5-carboxamide?
The InChIKey is GWQDUWZNZMMMMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N6OS/c1-12-8-13(2)10-14(9-12)25(3)19-22-6-4-15(24-19)18-23-11-16(27-18)17(26)21-7-5-20/h4,6,8-11H,5,7,20H2,1-3H3,(H,21,26).
What are the key properties of N-(2-aminoethyl)-2-[2-(N,3,5-trimethylanilino)pyrimidin-4-yl]-1,3-thiazole-5-carboxamide?
N-(2-aminoethyl)-2-[2-(N,3,5-trimethylanilino)pyrimidin-4-yl]-1,3-thiazole-5-carboxamide has a molecular weight of 382.49 g/mol, XLogP of 2.67, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminoethyl)-2-[2-(N,3,5-trimethylanilino)pyrimidin-4-yl]-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 71101623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).