N-[1-(2-chloro-6-fluorophenyl)-1-hydroxypropan-2-yl]-4-methyl-1,3-thiazole-5-carboxamide

C14H14ClFN2O2S — CID 71980503

IUPACN-[1-(2-chloro-6-fluorophenyl)-1-hydroxypropan-2-yl]-4-methyl-1,3-thiazole-5-carboxamide
SMILESCc1ncsc1C(=O)NC(C)C(O)c1c(F)cccc1Cl
InChIInChI=1S/C14H14ClFN2O2S/c1-7(18-14(20)13-8(2)17-6-21-13)12(19)11-9(15)4-3-5-10(11)16/h3-7,12,19H,1-2H3,(H,18,20)
InChIKeyIKNUKYNMFATARV-UHFFFAOYSA-N
MW328.80 g/mol
LogP3.10
Rot. Bonds4

About N-[1-(2-chloro-6-fluorophenyl)-1-hydroxypropan-2-yl]-4-methyl-1,3-thiazole-5-carboxamide

N-[1-(2-chloro-6-fluorophenyl)-1-hydroxypropan-2-yl]-4-methyl-1,3-thiazole-5-carboxamide (PubChem CID 71980503) has the molecular formula C14H14ClFN2O2S and a molecular weight of 328.80 g/mol. Its IUPAC name is N-[1-(2-chloro-6-fluorophenyl)-1-hydroxypropan-2-yl]-4-methyl-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound NameN-[1-(2-chloro-6-fluorophenyl)-1-hydroxypropan-2-yl]-4-methyl-1,3-thiazole-5-carboxamide
PubChem CID71980503
Molecular FormulaC14H14ClFN2O2S
Molecular Weight328.80 g/mol
Exact Mass328.04
IUPAC NameN-[1-(2-chloro-6-fluorophenyl)-1-hydroxypropan-2-yl]-4-methyl-1,3-thiazole-5-carboxamide
SMILESCc1ncsc1C(=O)NC(C)C(O)c1c(F)cccc1Cl
InChIInChI=1S/C14H14ClFN2O2S/c1-7(18-14(20)13-8(2)17-6-21-13)12(19)11-9(15)4-3-5-10(11)16/h3-7,12,19H,1-2H3,(H,18,20)
InChIKeyIKNUKYNMFATARV-UHFFFAOYSA-N
XLogP3.10
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.80
LogP ≤ 53.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[1-(2-chloro-6-fluorophenyl)-1-hydroxypropan-2-yl]-4-methyl-1,3-thiazole-5-carboxamide?
The IUPAC name of N-[1-(2-chloro-6-fluorophenyl)-1-hydroxypropan-2-yl]-4-methyl-1,3-thiazole-5-carboxamide (CID 71980503) is N-[1-(2-chloro-6-fluorophenyl)-1-hydroxypropan-2-yl]-4-methyl-1,3-thiazole-5-carboxamide.
What is the SMILES notation for N-[1-(2-chloro-6-fluorophenyl)-1-hydroxypropan-2-yl]-4-methyl-1,3-thiazole-5-carboxamide?
The canonical SMILES for N-[1-(2-chloro-6-fluorophenyl)-1-hydroxypropan-2-yl]-4-methyl-1,3-thiazole-5-carboxamide is Cc1ncsc1C(=O)NC(C)C(O)c1c(F)cccc1Cl.
What is the InChIKey of N-[1-(2-chloro-6-fluorophenyl)-1-hydroxypropan-2-yl]-4-methyl-1,3-thiazole-5-carboxamide?
The InChIKey is IKNUKYNMFATARV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14ClFN2O2S/c1-7(18-14(20)13-8(2)17-6-21-13)12(19)11-9(15)4-3-5-10(11)16/h3-7,12,19H,1-2H3,(H,18,20).
What are the key properties of N-[1-(2-chloro-6-fluorophenyl)-1-hydroxypropan-2-yl]-4-methyl-1,3-thiazole-5-carboxamide?
N-[1-(2-chloro-6-fluorophenyl)-1-hydroxypropan-2-yl]-4-methyl-1,3-thiazole-5-carboxamide has a molecular weight of 328.80 g/mol, XLogP of 3.10, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-chloro-6-fluorophenyl)-1-hydroxypropan-2-yl]-4-methyl-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 71980503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).