N-[(1S)-1-(2-chloro-6-fluorophenyl)ethyl]-4-cyclopropylthiadiazole-5-carboxamide

C14H13ClFN3OS — CID 24755357

IUPACN-[(1S)-1-(2-chloro-6-fluorophenyl)ethyl]-4-cyclopropylthiadiazole-5-carboxamide
SMILESC[C@H](NC(=O)c1snnc1C1CC1)c1c(F)cccc1Cl
InChIInChI=1S/C14H13ClFN3OS/c1-7(11-9(15)3-2-4-10(11)16)17-14(20)13-12(8-5-6-8)18-19-21-13/h2-4,7-8H,5-6H2,1H3,(H,17,20)/t7-/m0/s1
InChIKeyUUANXBZPALQPRT-ZETCQYMHSA-N
MW325.80 g/mol
LogP3.70
Rot. Bonds4

About N-[(1S)-1-(2-chloro-6-fluorophenyl)ethyl]-4-cyclopropylthiadiazole-5-carboxamide

N-[(1S)-1-(2-chloro-6-fluorophenyl)ethyl]-4-cyclopropylthiadiazole-5-carboxamide (PubChem CID 24755357) has the molecular formula C14H13ClFN3OS and a molecular weight of 325.80 g/mol. Its IUPAC name is N-[(1S)-1-(2-chloro-6-fluorophenyl)ethyl]-4-cyclopropylthiadiazole-5-carboxamide.

Molecular Properties

Compound NameN-[(1S)-1-(2-chloro-6-fluorophenyl)ethyl]-4-cyclopropylthiadiazole-5-carboxamide
PubChem CID24755357
Molecular FormulaC14H13ClFN3OS
Molecular Weight325.80 g/mol
Exact Mass325.05
IUPAC NameN-[(1S)-1-(2-chloro-6-fluorophenyl)ethyl]-4-cyclopropylthiadiazole-5-carboxamide
SMILESC[C@H](NC(=O)c1snnc1C1CC1)c1c(F)cccc1Cl
InChIInChI=1S/C14H13ClFN3OS/c1-7(11-9(15)3-2-4-10(11)16)17-14(20)13-12(8-5-6-8)18-19-21-13/h2-4,7-8H,5-6H2,1H3,(H,17,20)/t7-/m0/s1
InChIKeyUUANXBZPALQPRT-ZETCQYMHSA-N
XLogP3.70
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.80
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(2-chloro-6-fluoro-phenyl)methyl]-4-methyl-thiadiazole-5-carboxamide
CID 332921
N-[(2-chloro-3,6-difluorophenyl)methyl]-4-cyclopropylthiadiazole-5-carboxamide
CID 25189550
N-[(3-chloro-2,6-difluorophenyl)methyl]-4-cyclopropylthiadiazole-5-carboxamide
CID 25189551
N-[(2-chloro-6-fluorophenyl)methyl]-4-propan-2-ylthiadiazole-5-carboxamide
CID 25190348
N-[(2-chloro-6-fluorophenyl)methyl]-4-cyclopropylthiadiazole-5-carboxamide
CID 25190399
N-[(2-chloro-6-fluorophenyl)methyl]-4-cyclobutylthiadiazole-5-carboxamide
CID 25190400
1,2,3-Thiadiazole-5-carboxamide, N-[(1S)-1-(2-chloro-6-fluorophenyl)ethyl]-4-cyclopropyl-
CID 44443739
4-methyl-N-(1-phenylethyl)-1,2,3-thiadiazole-5-carboxamide
CID 6916146
N-[(2,6-difluorophenyl)methyl]-4-methylthiadiazole-5-carboxamide
CID 6917368
N-[(2-chloro-6-fluorophenyl)methyl]-4-propylthiadiazole-5-carboxamide
CID 6917377
4-cyclopropyl-N-[(2-fluorophenyl)methyl]thiadiazole-5-carboxamide
CID 25189476
N-[(2-chloro-6-methylphenyl)methyl]-4-cyclopropylthiadiazole-5-carboxamide
CID 25189477

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-(2-chloro-6-fluorophenyl)ethyl]-4-cyclopropylthiadiazole-5-carboxamide?
The IUPAC name of N-[(1S)-1-(2-chloro-6-fluorophenyl)ethyl]-4-cyclopropylthiadiazole-5-carboxamide (CID 24755357) is N-[(1S)-1-(2-chloro-6-fluorophenyl)ethyl]-4-cyclopropylthiadiazole-5-carboxamide.
What is the SMILES notation for N-[(1S)-1-(2-chloro-6-fluorophenyl)ethyl]-4-cyclopropylthiadiazole-5-carboxamide?
The canonical SMILES for N-[(1S)-1-(2-chloro-6-fluorophenyl)ethyl]-4-cyclopropylthiadiazole-5-carboxamide is C[C@H](NC(=O)c1snnc1C1CC1)c1c(F)cccc1Cl.
What is the InChIKey of N-[(1S)-1-(2-chloro-6-fluorophenyl)ethyl]-4-cyclopropylthiadiazole-5-carboxamide?
The InChIKey is UUANXBZPALQPRT-ZETCQYMHSA-N. The full InChI is InChI=1S/C14H13ClFN3OS/c1-7(11-9(15)3-2-4-10(11)16)17-14(20)13-12(8-5-6-8)18-19-21-13/h2-4,7-8H,5-6H2,1H3,(H,17,20)/t7-/m0/s1.
What are the key properties of N-[(1S)-1-(2-chloro-6-fluorophenyl)ethyl]-4-cyclopropylthiadiazole-5-carboxamide?
N-[(1S)-1-(2-chloro-6-fluorophenyl)ethyl]-4-cyclopropylthiadiazole-5-carboxamide has a molecular weight of 325.80 g/mol, XLogP of 3.70, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-(2-chloro-6-fluorophenyl)ethyl]-4-cyclopropylthiadiazole-5-carboxamide is sourced from PubChem (CID 24755357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).