N-(furan-2-ylmethyl)-2-(4-phenylpiperazin-1-yl)-1,3-thiazole-4-carboxamide

C19H20N4O2S — CID 71840415

IUPACN-(furan-2-ylmethyl)-2-(4-phenylpiperazin-1-yl)-1,3-thiazole-4-carboxamide
SMILESO=C(NCc1ccco1)c1csc(N2CCN(c3ccccc3)CC2)n1
InChIInChI=1S/C19H20N4O2S/c24-18(20-13-16-7-4-12-25-16)17-14-26-19(21-17)23-10-8-22(9-11-23)15-5-2-1-3-6-15/h1-7,12,14H,8-11,13H2,(H,20,24)
InChIKeyOMHXVUTTYMPWIS-UHFFFAOYSA-N
MW368.46 g/mol
LogP2.99
Rot. Bonds5

About N-(furan-2-ylmethyl)-2-(4-phenylpiperazin-1-yl)-1,3-thiazole-4-carboxamide

N-(furan-2-ylmethyl)-2-(4-phenylpiperazin-1-yl)-1,3-thiazole-4-carboxamide (PubChem CID 71840415) has the molecular formula C19H20N4O2S and a molecular weight of 368.46 g/mol. Its IUPAC name is N-(furan-2-ylmethyl)-2-(4-phenylpiperazin-1-yl)-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-(furan-2-ylmethyl)-2-(4-phenylpiperazin-1-yl)-1,3-thiazole-4-carboxamide
PubChem CID71840415
Molecular FormulaC19H20N4O2S
Molecular Weight368.46 g/mol
Exact Mass368.13
IUPAC NameN-(furan-2-ylmethyl)-2-(4-phenylpiperazin-1-yl)-1,3-thiazole-4-carboxamide
SMILESO=C(NCc1ccco1)c1csc(N2CCN(c3ccccc3)CC2)n1
InChIInChI=1S/C19H20N4O2S/c24-18(20-13-16-7-4-12-25-16)17-14-26-19(21-17)23-10-8-22(9-11-23)15-5-2-1-3-6-15/h1-7,12,14H,8-11,13H2,(H,20,24)
InChIKeyOMHXVUTTYMPWIS-UHFFFAOYSA-N
XLogP2.99
TPSA61.61 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.46
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(furan-2-ylmethyl)-2-[4-(3-methoxyphenyl)piperazin-1-yl]-1,3-thiazole-4-carboxamide
CID 71830078
2-(4-phenylpiperazin-1-yl)-N-(pyridin-2-ylmethyl)-1,3-thiazole-4-carboxamide
CID 53200928
N-(furan-2-ylmethyl)-2-(pyrrolidine-1-carbonyl)-1,3-thiazole-4-carboxamide
CID 53158390
N-benzyl-2-[4-(3-methoxyphenyl)piperazin-1-yl]-1,3-thiazole-4-carboxamide
CID 53161069
N-[(4-chlorophenyl)methyl]-2-[4-(4-chlorophenyl)piperazin-1-yl]-1,3-thiazole-4-carboxamide
CID 53161103
4-[4-(3-chlorophenyl)piperazin-1-yl]-N-(furan-2-ylmethyl)pyridine-2-carboxamide
CID 109209317
4-(azepan-1-yl)-N-(furan-2-ylmethyl)pyridine-2-carboxamide
CID 109209338
N,N-dimethyl-2-(4-phenylpiperazin-1-yl)-1,3-thiazole-4-carboxamide
CID 53160987
N-(furan-2-ylmethyl)-2-[(2-phenylacetyl)amino]-1,3-thiazole-4-carboxamide
CID 84555759
2-[4-(4-methoxyphenyl)piperazin-1-yl]-N-[(2-methylphenyl)methyl]-1,3-thiazole-4-carboxamide
CID 71840401
5-[4-(4-fluorophenyl)piperazin-1-yl]-N-(furan-2-ylmethyl)pyridine-2-carboxamide
CID 109187509
2-[4-(3-chlorophenyl)piperazin-1-yl]-N-(pyridin-4-ylmethyl)-1,3-thiazole-4-carboxamide
CID 71840362

Frequently Asked Questions

What is the IUPAC name of N-(furan-2-ylmethyl)-2-(4-phenylpiperazin-1-yl)-1,3-thiazole-4-carboxamide?
The IUPAC name of N-(furan-2-ylmethyl)-2-(4-phenylpiperazin-1-yl)-1,3-thiazole-4-carboxamide (CID 71840415) is N-(furan-2-ylmethyl)-2-(4-phenylpiperazin-1-yl)-1,3-thiazole-4-carboxamide.
What is the SMILES notation for N-(furan-2-ylmethyl)-2-(4-phenylpiperazin-1-yl)-1,3-thiazole-4-carboxamide?
The canonical SMILES for N-(furan-2-ylmethyl)-2-(4-phenylpiperazin-1-yl)-1,3-thiazole-4-carboxamide is O=C(NCc1ccco1)c1csc(N2CCN(c3ccccc3)CC2)n1.
What is the InChIKey of N-(furan-2-ylmethyl)-2-(4-phenylpiperazin-1-yl)-1,3-thiazole-4-carboxamide?
The InChIKey is OMHXVUTTYMPWIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4O2S/c24-18(20-13-16-7-4-12-25-16)17-14-26-19(21-17)23-10-8-22(9-11-23)15-5-2-1-3-6-15/h1-7,12,14H,8-11,13H2,(H,20,24).
What are the key properties of N-(furan-2-ylmethyl)-2-(4-phenylpiperazin-1-yl)-1,3-thiazole-4-carboxamide?
N-(furan-2-ylmethyl)-2-(4-phenylpiperazin-1-yl)-1,3-thiazole-4-carboxamide has a molecular weight of 368.46 g/mol, XLogP of 2.99, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(furan-2-ylmethyl)-2-(4-phenylpiperazin-1-yl)-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 71840415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).