2-(5-methylfuran-2-yl)-N-[(2R)-2-(4-phenylpiperazin-1-yl)propyl]-1,3-thiazole-4-carboxamide

C22H26N4O2S — CID 51658661

IUPAC2-(5-methylfuran-2-yl)-N-[(2R)-2-(4-phenylpiperazin-1-yl)propyl]-1,3-thiazole-4-carboxamide
SMILESCc1ccc(-c2nc(C(=O)NC[C@@H](C)N3CCN(c4ccccc4)CC3)cs2)o1
InChIInChI=1S/C22H26N4O2S/c1-16(25-10-12-26(13-11-25)18-6-4-3-5-7-18)14-23-21(27)19-15-29-22(24-19)20-9-8-17(2)28-20/h3-9,15-16H,10-14H2,1-2H3,(H,23,27)/t16-/m1/s1
InChIKeyIWUNDIGKEYBZCG-MRXNPFEDSA-N
MW410.54 g/mol
LogP3.65
Rot. Bonds6

About 2-(5-methylfuran-2-yl)-N-[(2R)-2-(4-phenylpiperazin-1-yl)propyl]-1,3-thiazole-4-carboxamide

2-(5-methylfuran-2-yl)-N-[(2R)-2-(4-phenylpiperazin-1-yl)propyl]-1,3-thiazole-4-carboxamide (PubChem CID 51658661) has the molecular formula C22H26N4O2S and a molecular weight of 410.54 g/mol. Its IUPAC name is 2-(5-methylfuran-2-yl)-N-[(2R)-2-(4-phenylpiperazin-1-yl)propyl]-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name2-(5-methylfuran-2-yl)-N-[(2R)-2-(4-phenylpiperazin-1-yl)propyl]-1,3-thiazole-4-carboxamide
PubChem CID51658661
Molecular FormulaC22H26N4O2S
Molecular Weight410.54 g/mol
Exact Mass410.18
IUPAC Name2-(5-methylfuran-2-yl)-N-[(2R)-2-(4-phenylpiperazin-1-yl)propyl]-1,3-thiazole-4-carboxamide
SMILESCc1ccc(-c2nc(C(=O)NC[C@@H](C)N3CCN(c4ccccc4)CC3)cs2)o1
InChIInChI=1S/C22H26N4O2S/c1-16(25-10-12-26(13-11-25)18-6-4-3-5-7-18)14-23-21(27)19-15-29-22(24-19)20-9-8-17(2)28-20/h3-9,15-16H,10-14H2,1-2H3,(H,23,27)/t16-/m1/s1
InChIKeyIWUNDIGKEYBZCG-MRXNPFEDSA-N
XLogP3.65
TPSA61.61 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.54
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(furan-2-ylmethyl)-2-(2-phenyl-1,3-thiazol-4-yl)acetamide
CID 2567479
[4-[(2S)-2-[2-(furan-2-yl)-1,3-thiazol-4-yl]-2-[[(2S)-2-(methoxycarbonylamino)-3-phenylpropanoyl]amino]ethyl]phenyl]sulfamic acid
CID 57943194
2-[4-(2-Furoyl)piperazine-1-yl]-N-[4-(2-methylthiazol-4-yl)phenyl]acetamide (5p)
CID 73443011
4-(1,3-benzothiazol-2-ylsulfanyl)-N-(furan-2-ylmethyl)butanamide
CID 2088481
2-[4-[4-(1-benzofuran-2-yl)-1,3-thiazol-2-yl]piperidin-1-yl]-N-(3-fluorophenyl)acetamide
CID 166631419
2-[4-[4-(1-benzofuran-2-yl)-1,3-thiazol-2-yl]piperidin-1-yl]-N-phenylacetamide
CID 166633433
N-(4-chlorophenyl)-1-[2-(furan-2-yl)-1,3-thiazole-4-carbonyl]piperidine-3-carboxamide
CID 121318057
{[2-(5-Methylfuran-2-yl)-1,3-thiazol-4-yl]methyl}(propan-2-yl)[(pyridin-2-yl)methyl]amine
CID 45913503
N-(2-furylmethyl)-1,3-benzothiazole-2-carboxamide
CID 972828
2-[4-[5-(1,3-benzothiazol-2-yl)furan-2-carbonyl]piperazin-1-yl]-N-(4-fluorophenyl)acetamide
CID 16324980
N-[(1S)-1-(4-fluorophenyl)ethyl]-N-methyl-2-[2-(5-methylfuran-2-yl)-1,3-thiazol-4-yl]acetamide
CID 39105263
[2-(furan-2-yl)-1,3-thiazol-4-yl]-(2-methyl-3,4-dihydro-2H-1,5-benzothiazepin-5-yl)methanone
CID 42889999

Frequently Asked Questions

What is the IUPAC name of 2-(5-methylfuran-2-yl)-N-[(2R)-2-(4-phenylpiperazin-1-yl)propyl]-1,3-thiazole-4-carboxamide?
The IUPAC name of 2-(5-methylfuran-2-yl)-N-[(2R)-2-(4-phenylpiperazin-1-yl)propyl]-1,3-thiazole-4-carboxamide (CID 51658661) is 2-(5-methylfuran-2-yl)-N-[(2R)-2-(4-phenylpiperazin-1-yl)propyl]-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 2-(5-methylfuran-2-yl)-N-[(2R)-2-(4-phenylpiperazin-1-yl)propyl]-1,3-thiazole-4-carboxamide?
The canonical SMILES for 2-(5-methylfuran-2-yl)-N-[(2R)-2-(4-phenylpiperazin-1-yl)propyl]-1,3-thiazole-4-carboxamide is Cc1ccc(-c2nc(C(=O)NC[C@@H](C)N3CCN(c4ccccc4)CC3)cs2)o1.
What is the InChIKey of 2-(5-methylfuran-2-yl)-N-[(2R)-2-(4-phenylpiperazin-1-yl)propyl]-1,3-thiazole-4-carboxamide?
The InChIKey is IWUNDIGKEYBZCG-MRXNPFEDSA-N. The full InChI is InChI=1S/C22H26N4O2S/c1-16(25-10-12-26(13-11-25)18-6-4-3-5-7-18)14-23-21(27)19-15-29-22(24-19)20-9-8-17(2)28-20/h3-9,15-16H,10-14H2,1-2H3,(H,23,27)/t16-/m1/s1.
What are the key properties of 2-(5-methylfuran-2-yl)-N-[(2R)-2-(4-phenylpiperazin-1-yl)propyl]-1,3-thiazole-4-carboxamide?
2-(5-methylfuran-2-yl)-N-[(2R)-2-(4-phenylpiperazin-1-yl)propyl]-1,3-thiazole-4-carboxamide has a molecular weight of 410.54 g/mol, XLogP of 3.65, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-methylfuran-2-yl)-N-[(2R)-2-(4-phenylpiperazin-1-yl)propyl]-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 51658661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).