N-(5-methyl-1,3-thiazol-2-yl)-4-phenylpiperazine-1-carboxamide

C15H18N4OS — CID 162664555

IUPACN-(5-methyl-1,3-thiazol-2-yl)-4-phenylpiperazine-1-carboxamide
SMILESCc1cnc(NC(=O)N2CCN(c3ccccc3)CC2)s1
InChIInChI=1S/C15H18N4OS/c1-12-11-16-14(21-12)17-15(20)19-9-7-18(8-10-19)13-5-3-2-4-6-13/h2-6,11H,7-10H2,1H3,(H,16,17,20)
InChIKeyRJDMOJWORZDZQP-UHFFFAOYSA-N
MW302.40 g/mol
LogP2.81
Rot. Bonds2

About N-(5-methyl-1,3-thiazol-2-yl)-4-phenylpiperazine-1-carboxamide

N-(5-methyl-1,3-thiazol-2-yl)-4-phenylpiperazine-1-carboxamide (PubChem CID 162664555) has the molecular formula C15H18N4OS and a molecular weight of 302.40 g/mol. Its IUPAC name is N-(5-methyl-1,3-thiazol-2-yl)-4-phenylpiperazine-1-carboxamide.

Molecular Properties

Compound NameN-(5-methyl-1,3-thiazol-2-yl)-4-phenylpiperazine-1-carboxamide
PubChem CID162664555
Molecular FormulaC15H18N4OS
Molecular Weight302.40 g/mol
Exact Mass302.12
IUPAC NameN-(5-methyl-1,3-thiazol-2-yl)-4-phenylpiperazine-1-carboxamide
SMILESCc1cnc(NC(=O)N2CCN(c3ccccc3)CC2)s1
InChIInChI=1S/C15H18N4OS/c1-12-11-16-14(21-12)17-15(20)19-9-7-18(8-10-19)13-5-3-2-4-6-13/h2-6,11H,7-10H2,1H3,(H,16,17,20)
InChIKeyRJDMOJWORZDZQP-UHFFFAOYSA-N
XLogP2.81
TPSA48.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.40
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-Phenyl-3-(4-pyridin-2-yl-thiazol-2-yl)-urea
CID 10590030
N-{4-[(5-bromo-1,3-thiazol-2-yl)amino]phenyl}acetamide
CID 16068528
2-(4-(4-fluorophenyl)piperazin-1-yl)-N-(1,3-thiazol-2-yl)acetamide
CID 861153
4-{5-[(4-Phenylpiperazino)methyl]-1,3-thiazol-2-yl}morpholine
CID 1489279
1-(5-Nitro-1,3-thiazol-2-yl)-3-phenylurea
CID 3456531
1-(5-Cyclobutyl-thiazol-2-yl)-3-phenyl-urea
CID 9835236
1-(5-Isopropyl-thiazol-2-yl)-3-phenyl-urea
CID 9881657
4-(6-fluoro-2,3-dihydroindol-1-yl)-N-(5-methyl-1,3-thiazol-2-yl)piperidine-1-carboxamide
CID 71657337
4-(3,4-dichlorophenyl)-N-(5-methyl-1,3-thiazol-2-yl)piperazine-1-carboxamide
CID 145420100
N-(5-cyano-1,3-thiazol-2-yl)-4-(3,4-dichlorophenyl)piperazine-1-carboxamide
CID 145420109
4-(3-chloro-4-methylphenyl)-N-(5-methyl-1,3-thiazol-2-yl)piperazine-1-carboxamide
CID 145420120
4-(4-chloro-3-methylphenyl)-N-(5-methyl-1,3-thiazol-2-yl)piperazine-1-carboxamide
CID 145420130

Frequently Asked Questions

What is the IUPAC name of N-(5-methyl-1,3-thiazol-2-yl)-4-phenylpiperazine-1-carboxamide?
The IUPAC name of N-(5-methyl-1,3-thiazol-2-yl)-4-phenylpiperazine-1-carboxamide (CID 162664555) is N-(5-methyl-1,3-thiazol-2-yl)-4-phenylpiperazine-1-carboxamide.
What is the SMILES notation for N-(5-methyl-1,3-thiazol-2-yl)-4-phenylpiperazine-1-carboxamide?
The canonical SMILES for N-(5-methyl-1,3-thiazol-2-yl)-4-phenylpiperazine-1-carboxamide is Cc1cnc(NC(=O)N2CCN(c3ccccc3)CC2)s1.
What is the InChIKey of N-(5-methyl-1,3-thiazol-2-yl)-4-phenylpiperazine-1-carboxamide?
The InChIKey is RJDMOJWORZDZQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4OS/c1-12-11-16-14(21-12)17-15(20)19-9-7-18(8-10-19)13-5-3-2-4-6-13/h2-6,11H,7-10H2,1H3,(H,16,17,20).
What are the key properties of N-(5-methyl-1,3-thiazol-2-yl)-4-phenylpiperazine-1-carboxamide?
N-(5-methyl-1,3-thiazol-2-yl)-4-phenylpiperazine-1-carboxamide has a molecular weight of 302.40 g/mol, XLogP of 2.81, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-methyl-1,3-thiazol-2-yl)-4-phenylpiperazine-1-carboxamide is sourced from PubChem (CID 162664555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).