N-[4-(2-amino-2-oxoethyl)-1,3-thiazol-2-yl]-6-piperidin-1-ylpyrimidine-4-carboxamide

C15H18N6O2S — CID 91628649

IUPACN-[4-(2-amino-2-oxoethyl)-1,3-thiazol-2-yl]-6-piperidin-1-ylpyrimidine-4-carboxamide
SMILESNC(=O)Cc1csc(NC(=O)c2cc(N3CCCCC3)ncn2)n1
InChIInChI=1S/C15H18N6O2S/c16-12(22)6-10-8-24-15(19-10)20-14(23)11-7-13(18-9-17-11)21-4-2-1-3-5-21/h7-9H,1-6H2,(H2,16,22)(H,19,20,23)
InChIKeyKQNDTFAWOCUNPM-UHFFFAOYSA-N
MW346.42 g/mol
LogP1.20
Rot. Bonds5

About N-[4-(2-amino-2-oxoethyl)-1,3-thiazol-2-yl]-6-piperidin-1-ylpyrimidine-4-carboxamide

N-[4-(2-amino-2-oxoethyl)-1,3-thiazol-2-yl]-6-piperidin-1-ylpyrimidine-4-carboxamide (PubChem CID 91628649) has the molecular formula C15H18N6O2S and a molecular weight of 346.42 g/mol. Its IUPAC name is N-[4-(2-amino-2-oxoethyl)-1,3-thiazol-2-yl]-6-piperidin-1-ylpyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-[4-(2-amino-2-oxoethyl)-1,3-thiazol-2-yl]-6-piperidin-1-ylpyrimidine-4-carboxamide
PubChem CID91628649
Molecular FormulaC15H18N6O2S
Molecular Weight346.42 g/mol
Exact Mass346.12
IUPAC NameN-[4-(2-amino-2-oxoethyl)-1,3-thiazol-2-yl]-6-piperidin-1-ylpyrimidine-4-carboxamide
SMILESNC(=O)Cc1csc(NC(=O)c2cc(N3CCCCC3)ncn2)n1
InChIInChI=1S/C15H18N6O2S/c16-12(22)6-10-8-24-15(19-10)20-14(23)11-7-13(18-9-17-11)21-4-2-1-3-5-21/h7-9H,1-6H2,(H2,16,22)(H,19,20,23)
InChIKeyKQNDTFAWOCUNPM-UHFFFAOYSA-N
XLogP1.20
TPSA114.10 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.42
LogP ≤ 51.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[4-(2-amino-2-oxoethyl)-1,3-thiazol-2-yl]-6-piperidin-1-ylpyrimidine-4-carboxamide?
The IUPAC name of N-[4-(2-amino-2-oxoethyl)-1,3-thiazol-2-yl]-6-piperidin-1-ylpyrimidine-4-carboxamide (CID 91628649) is N-[4-(2-amino-2-oxoethyl)-1,3-thiazol-2-yl]-6-piperidin-1-ylpyrimidine-4-carboxamide.
What is the SMILES notation for N-[4-(2-amino-2-oxoethyl)-1,3-thiazol-2-yl]-6-piperidin-1-ylpyrimidine-4-carboxamide?
The canonical SMILES for N-[4-(2-amino-2-oxoethyl)-1,3-thiazol-2-yl]-6-piperidin-1-ylpyrimidine-4-carboxamide is NC(=O)Cc1csc(NC(=O)c2cc(N3CCCCC3)ncn2)n1.
What is the InChIKey of N-[4-(2-amino-2-oxoethyl)-1,3-thiazol-2-yl]-6-piperidin-1-ylpyrimidine-4-carboxamide?
The InChIKey is KQNDTFAWOCUNPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N6O2S/c16-12(22)6-10-8-24-15(19-10)20-14(23)11-7-13(18-9-17-11)21-4-2-1-3-5-21/h7-9H,1-6H2,(H2,16,22)(H,19,20,23).
What are the key properties of N-[4-(2-amino-2-oxoethyl)-1,3-thiazol-2-yl]-6-piperidin-1-ylpyrimidine-4-carboxamide?
N-[4-(2-amino-2-oxoethyl)-1,3-thiazol-2-yl]-6-piperidin-1-ylpyrimidine-4-carboxamide has a molecular weight of 346.42 g/mol, XLogP of 1.20, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2-amino-2-oxoethyl)-1,3-thiazol-2-yl]-6-piperidin-1-ylpyrimidine-4-carboxamide is sourced from PubChem (CID 91628649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).