N-(2-piperazin-1-ylphenyl)-2-pyrimidin-5-yl-1,3-thiazole-4-carboxamide

C18H18N6OS — CID 70690199

IUPACN-(2-piperazin-1-ylphenyl)-2-pyrimidin-5-yl-1,3-thiazole-4-carboxamide
SMILESO=C(Nc1ccccc1N1CCNCC1)c1csc(-c2cncnc2)n1
InChIInChI=1S/C18H18N6OS/c25-17(15-11-26-18(23-15)13-9-20-12-21-10-13)22-14-3-1-2-4-16(14)24-7-5-19-6-8-24/h1-4,9-12,19H,5-8H2,(H,22,25)
InChIKeyBNYVVLJMRJTMFO-UHFFFAOYSA-N
MW366.45 g/mol
LogP2.26
Rot. Bonds4

About N-(2-piperazin-1-ylphenyl)-2-pyrimidin-5-yl-1,3-thiazole-4-carboxamide

N-(2-piperazin-1-ylphenyl)-2-pyrimidin-5-yl-1,3-thiazole-4-carboxamide (PubChem CID 70690199) has the molecular formula C18H18N6OS and a molecular weight of 366.45 g/mol. Its IUPAC name is N-(2-piperazin-1-ylphenyl)-2-pyrimidin-5-yl-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-(2-piperazin-1-ylphenyl)-2-pyrimidin-5-yl-1,3-thiazole-4-carboxamide
PubChem CID70690199
Molecular FormulaC18H18N6OS
Molecular Weight366.45 g/mol
Exact Mass366.13
IUPAC NameN-(2-piperazin-1-ylphenyl)-2-pyrimidin-5-yl-1,3-thiazole-4-carboxamide
SMILESO=C(Nc1ccccc1N1CCNCC1)c1csc(-c2cncnc2)n1
InChIInChI=1S/C18H18N6OS/c25-17(15-11-26-18(23-15)13-9-20-12-21-10-13)22-14-3-1-2-4-16(14)24-7-5-19-6-8-24/h1-4,9-12,19H,5-8H2,(H,22,25)
InChIKeyBNYVVLJMRJTMFO-UHFFFAOYSA-N
XLogP2.26
TPSA83.04 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.45
LogP ≤ 52.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-(2-piperazin-1-ylphenyl)-2-pyrimidin-5-yl-1,3-thiazole-4-carboxamide?
The IUPAC name of N-(2-piperazin-1-ylphenyl)-2-pyrimidin-5-yl-1,3-thiazole-4-carboxamide (CID 70690199) is N-(2-piperazin-1-ylphenyl)-2-pyrimidin-5-yl-1,3-thiazole-4-carboxamide.
What is the SMILES notation for N-(2-piperazin-1-ylphenyl)-2-pyrimidin-5-yl-1,3-thiazole-4-carboxamide?
The canonical SMILES for N-(2-piperazin-1-ylphenyl)-2-pyrimidin-5-yl-1,3-thiazole-4-carboxamide is O=C(Nc1ccccc1N1CCNCC1)c1csc(-c2cncnc2)n1.
What is the InChIKey of N-(2-piperazin-1-ylphenyl)-2-pyrimidin-5-yl-1,3-thiazole-4-carboxamide?
The InChIKey is BNYVVLJMRJTMFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N6OS/c25-17(15-11-26-18(23-15)13-9-20-12-21-10-13)22-14-3-1-2-4-16(14)24-7-5-19-6-8-24/h1-4,9-12,19H,5-8H2,(H,22,25).
What are the key properties of N-(2-piperazin-1-ylphenyl)-2-pyrimidin-5-yl-1,3-thiazole-4-carboxamide?
N-(2-piperazin-1-ylphenyl)-2-pyrimidin-5-yl-1,3-thiazole-4-carboxamide has a molecular weight of 366.45 g/mol, XLogP of 2.26, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-piperazin-1-ylphenyl)-2-pyrimidin-5-yl-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 70690199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).