N-[4-[2-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]-1,3-thiazol-2-yl]pyrimidine-2-carboxamide

C15H14N6O2S2 — CID 52904139

IUPACN-[4-[2-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]-1,3-thiazol-2-yl]pyrimidine-2-carboxamide
SMILESCc1nc(NC(=O)Cc2csc(NC(=O)c3ncccn3)n2)sc1C
InChIInChI=1S/C15H14N6O2S2/c1-8-9(2)25-15(18-8)20-11(22)6-10-7-24-14(19-10)21-13(23)12-16-4-3-5-17-12/h3-5,7H,6H2,1-2H3,(H,18,20,22)(H,19,21,23)
InChIKeySVUMPYFPZFIOSP-UHFFFAOYSA-N
MW374.45 g/mol
LogP2.44
Rot. Bonds5

About N-[4-[2-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]-1,3-thiazol-2-yl]pyrimidine-2-carboxamide

N-[4-[2-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]-1,3-thiazol-2-yl]pyrimidine-2-carboxamide (PubChem CID 52904139) has the molecular formula C15H14N6O2S2 and a molecular weight of 374.45 g/mol. Its IUPAC name is N-[4-[2-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]-1,3-thiazol-2-yl]pyrimidine-2-carboxamide.

Molecular Properties

Compound NameN-[4-[2-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]-1,3-thiazol-2-yl]pyrimidine-2-carboxamide
PubChem CID52904139
Molecular FormulaC15H14N6O2S2
Molecular Weight374.45 g/mol
Exact Mass374.06
IUPAC NameN-[4-[2-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]-1,3-thiazol-2-yl]pyrimidine-2-carboxamide
SMILESCc1nc(NC(=O)Cc2csc(NC(=O)c3ncccn3)n2)sc1C
InChIInChI=1S/C15H14N6O2S2/c1-8-9(2)25-15(18-8)20-11(22)6-10-7-24-14(19-10)21-13(23)12-16-4-3-5-17-12/h3-5,7H,6H2,1-2H3,(H,18,20,22)(H,19,21,23)
InChIKeySVUMPYFPZFIOSP-UHFFFAOYSA-N
XLogP2.44
TPSA109.76 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.45
LogP ≤ 52.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-[4-[2-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]-1,3-thiazol-2-yl]pyrimidine-2-carboxamide?
The IUPAC name of N-[4-[2-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]-1,3-thiazol-2-yl]pyrimidine-2-carboxamide (CID 52904139) is N-[4-[2-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]-1,3-thiazol-2-yl]pyrimidine-2-carboxamide.
What is the SMILES notation for N-[4-[2-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]-1,3-thiazol-2-yl]pyrimidine-2-carboxamide?
The canonical SMILES for N-[4-[2-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]-1,3-thiazol-2-yl]pyrimidine-2-carboxamide is Cc1nc(NC(=O)Cc2csc(NC(=O)c3ncccn3)n2)sc1C.
What is the InChIKey of N-[4-[2-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]-1,3-thiazol-2-yl]pyrimidine-2-carboxamide?
The InChIKey is SVUMPYFPZFIOSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N6O2S2/c1-8-9(2)25-15(18-8)20-11(22)6-10-7-24-14(19-10)21-13(23)12-16-4-3-5-17-12/h3-5,7H,6H2,1-2H3,(H,18,20,22)(H,19,21,23).
What are the key properties of N-[4-[2-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]-1,3-thiazol-2-yl]pyrimidine-2-carboxamide?
N-[4-[2-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]-1,3-thiazol-2-yl]pyrimidine-2-carboxamide has a molecular weight of 374.45 g/mol, XLogP of 2.44, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]-1,3-thiazol-2-yl]pyrimidine-2-carboxamide is sourced from PubChem (CID 52904139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).