2-[[2-[4-(2-fluorophenyl)piperazin-1-yl]acetyl]amino]-N,N,4-trimethyl-1,3-thiazole-5-carboxamide

C19H24FN5O2S — CID 6465336

IUPAC2-[[2-[4-(2-fluorophenyl)piperazin-1-yl]acetyl]amino]-N,N,4-trimethyl-1,3-thiazole-5-carboxamide
SMILESCc1nc(NC(=O)CN2CCN(c3ccccc3F)CC2)sc1C(=O)N(C)C
InChIInChI=1S/C19H24FN5O2S/c1-13-17(18(27)23(2)3)28-19(21-13)22-16(26)12-24-8-10-25(11-9-24)15-7-5-4-6-14(15)20/h4-7H,8-12H2,1-3H3,(H,21,22,26)
InChIKeyZNPUDPNRFOZHCM-UHFFFAOYSA-N
MW405.50 g/mol
LogP2.05
Rot. Bonds5

About 2-[[2-[4-(2-fluorophenyl)piperazin-1-yl]acetyl]amino]-N,N,4-trimethyl-1,3-thiazole-5-carboxamide

2-[[2-[4-(2-fluorophenyl)piperazin-1-yl]acetyl]amino]-N,N,4-trimethyl-1,3-thiazole-5-carboxamide (PubChem CID 6465336) has the molecular formula C19H24FN5O2S and a molecular weight of 405.50 g/mol. Its IUPAC name is 2-[[2-[4-(2-fluorophenyl)piperazin-1-yl]acetyl]amino]-N,N,4-trimethyl-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name2-[[2-[4-(2-fluorophenyl)piperazin-1-yl]acetyl]amino]-N,N,4-trimethyl-1,3-thiazole-5-carboxamide
PubChem CID6465336
Molecular FormulaC19H24FN5O2S
Molecular Weight405.50 g/mol
Exact Mass405.16
IUPAC Name2-[[2-[4-(2-fluorophenyl)piperazin-1-yl]acetyl]amino]-N,N,4-trimethyl-1,3-thiazole-5-carboxamide
SMILESCc1nc(NC(=O)CN2CCN(c3ccccc3F)CC2)sc1C(=O)N(C)C
InChIInChI=1S/C19H24FN5O2S/c1-13-17(18(27)23(2)3)28-19(21-13)22-16(26)12-24-8-10-25(11-9-24)15-7-5-4-6-14(15)20/h4-7H,8-12H2,1-3H3,(H,21,22,26)
InChIKeyZNPUDPNRFOZHCM-UHFFFAOYSA-N
XLogP2.05
TPSA68.78 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.50
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[[2-[4-(2-fluorophenyl)piperazin-1-yl]acetyl]amino]-N,N,4-trimethyl-1,3-thiazole-5-carboxamide?
The IUPAC name of 2-[[2-[4-(2-fluorophenyl)piperazin-1-yl]acetyl]amino]-N,N,4-trimethyl-1,3-thiazole-5-carboxamide (CID 6465336) is 2-[[2-[4-(2-fluorophenyl)piperazin-1-yl]acetyl]amino]-N,N,4-trimethyl-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 2-[[2-[4-(2-fluorophenyl)piperazin-1-yl]acetyl]amino]-N,N,4-trimethyl-1,3-thiazole-5-carboxamide?
The canonical SMILES for 2-[[2-[4-(2-fluorophenyl)piperazin-1-yl]acetyl]amino]-N,N,4-trimethyl-1,3-thiazole-5-carboxamide is Cc1nc(NC(=O)CN2CCN(c3ccccc3F)CC2)sc1C(=O)N(C)C.
What is the InChIKey of 2-[[2-[4-(2-fluorophenyl)piperazin-1-yl]acetyl]amino]-N,N,4-trimethyl-1,3-thiazole-5-carboxamide?
The InChIKey is ZNPUDPNRFOZHCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24FN5O2S/c1-13-17(18(27)23(2)3)28-19(21-13)22-16(26)12-24-8-10-25(11-9-24)15-7-5-4-6-14(15)20/h4-7H,8-12H2,1-3H3,(H,21,22,26).
What are the key properties of 2-[[2-[4-(2-fluorophenyl)piperazin-1-yl]acetyl]amino]-N,N,4-trimethyl-1,3-thiazole-5-carboxamide?
2-[[2-[4-(2-fluorophenyl)piperazin-1-yl]acetyl]amino]-N,N,4-trimethyl-1,3-thiazole-5-carboxamide has a molecular weight of 405.50 g/mol, XLogP of 2.05, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-[4-(2-fluorophenyl)piperazin-1-yl]acetyl]amino]-N,N,4-trimethyl-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 6465336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).