cis-(1S,2S)-2-fluoro-N-[6-(5-methyl-1,3-thiazol-4-yl)-1,3-benzothiazol-2-yl]cyclopropane-1-carboxamide

C15H12FN3OS2 — CID 138504792

IUPACcis-(1S,2S)-2-fluoro-N-[6-(5-methyl-1,3-thiazol-4-yl)-1,3-benzothiazol-2-yl]cyclopropane-1-carboxamide
SMILESCc1scnc1-c1ccc2nc(NC(=O)[C@@H]3C[C@@H]3F)sc2c1
InChIInChI=1S/C15H12FN3OS2/c1-7-13(17-6-21-7)8-2-3-11-12(4-8)22-15(18-11)19-14(20)9-5-10(9)16/h2-4,6,9-10H,5H2,1H3,(H,18,19,20)/t9-,10+/m1/s1
InChIKeyQOPWKBHJNJRYEG-ZJUUUORDSA-N
MW333.41 g/mol
LogP4.02
Rot. Bonds3

About cis-(1S,2S)-2-fluoro-N-[6-(5-methyl-1,3-thiazol-4-yl)-1,3-benzothiazol-2-yl]cyclopropane-1-carboxamide

cis-(1S,2S)-2-fluoro-N-[6-(5-methyl-1,3-thiazol-4-yl)-1,3-benzothiazol-2-yl]cyclopropane-1-carboxamide (PubChem CID 138504792) has the molecular formula C15H12FN3OS2 and a molecular weight of 333.41 g/mol. Its IUPAC name is cis-(1S,2S)-2-fluoro-N-[6-(5-methyl-1,3-thiazol-4-yl)-1,3-benzothiazol-2-yl]cyclopropane-1-carboxamide.

Molecular Properties

Compound Namecis-(1S,2S)-2-fluoro-N-[6-(5-methyl-1,3-thiazol-4-yl)-1,3-benzothiazol-2-yl]cyclopropane-1-carboxamide
PubChem CID138504792
Molecular FormulaC15H12FN3OS2
Molecular Weight333.41 g/mol
Exact Mass333.04
IUPAC Namecis-(1S,2S)-2-fluoro-N-[6-(5-methyl-1,3-thiazol-4-yl)-1,3-benzothiazol-2-yl]cyclopropane-1-carboxamide
SMILESCc1scnc1-c1ccc2nc(NC(=O)[C@@H]3C[C@@H]3F)sc2c1
InChIInChI=1S/C15H12FN3OS2/c1-7-13(17-6-21-7)8-2-3-11-12(4-8)22-15(18-11)19-14(20)9-5-10(9)16/h2-4,6,9-10H,5H2,1H3,(H,18,19,20)/t9-,10+/m1/s1
InChIKeyQOPWKBHJNJRYEG-ZJUUUORDSA-N
XLogP4.02
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.41
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze cis-(1S,2S)-2-fluoro-N-[6-(5-methyl-1,3-thiazol-4-yl)-1,3-benzothiazol-2-yl]cyclopropane-1-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(6-methylbenzo[d]thiazol-2-yl)thiophene-2-carboxamide
CID 739615
N-{6-[2-(Methylsulfanyl)pyrimidin-4-Yl]-1,3-Benzothiazol-2-Yl}acetamide
CID 25183031
N-[6-(Pyridin-3-Yl)-1,3-Benzothiazol-2-Yl]acetamide
CID 44481151
(1s,2s)-2-{4-[(Dimethylamino)methyl]phenyl}-N-[6-(Pyridin-3-Yl)-1,3-Benzothiazol-2-Yl]cyclopropanecarboxamide
CID 71777716
N-(6-Cyano-3h-1,3-Benzothiazol-2-Ylidene)ethanamide
CID 121225571
2-(1,3-benzothiazol-2-ylsulfanyl)-N-(5-methyl-1,3-thiazol-2-yl)acetamide
CID 894110
N-(4-methyl-1,3-benzothiazol-2-yl)cyclopropanecarboxamide
CID 836586
3-(6-Methyl-1,3-benzothiazol-2-yl)-2-thioxoimidazolidin-4-one
CID 896091
N-(5-methyl-1,3-thiazol-2-yl)-1,3-benzothiazole-6-carboxamide
CID 2089599
2-[(2-methyl-1H-indol-3-yl)sulfanyl]-N-(1,3-thiazol-2-yl)acetamide
CID 2153530
2-methyl-N-(6-methyl-1,3-benzothiazol-2-yl)cyclopropane-1-carboxamide
CID 3491790
N-(6-methyl-1,3-benzothiazol-2-yl)-1-(thien-2-ylsulfonyl)piperidine-4-carboxamide
CID 3242369

Frequently Asked Questions

What is the IUPAC name of cis-(1S,2S)-2-fluoro-N-[6-(5-methyl-1,3-thiazol-4-yl)-1,3-benzothiazol-2-yl]cyclopropane-1-carboxamide?
The IUPAC name of cis-(1S,2S)-2-fluoro-N-[6-(5-methyl-1,3-thiazol-4-yl)-1,3-benzothiazol-2-yl]cyclopropane-1-carboxamide (CID 138504792) is cis-(1S,2S)-2-fluoro-N-[6-(5-methyl-1,3-thiazol-4-yl)-1,3-benzothiazol-2-yl]cyclopropane-1-carboxamide.
What is the SMILES notation for cis-(1S,2S)-2-fluoro-N-[6-(5-methyl-1,3-thiazol-4-yl)-1,3-benzothiazol-2-yl]cyclopropane-1-carboxamide?
The canonical SMILES for cis-(1S,2S)-2-fluoro-N-[6-(5-methyl-1,3-thiazol-4-yl)-1,3-benzothiazol-2-yl]cyclopropane-1-carboxamide is Cc1scnc1-c1ccc2nc(NC(=O)[C@@H]3C[C@@H]3F)sc2c1.
What is the InChIKey of cis-(1S,2S)-2-fluoro-N-[6-(5-methyl-1,3-thiazol-4-yl)-1,3-benzothiazol-2-yl]cyclopropane-1-carboxamide?
The InChIKey is QOPWKBHJNJRYEG-ZJUUUORDSA-N. The full InChI is InChI=1S/C15H12FN3OS2/c1-7-13(17-6-21-7)8-2-3-11-12(4-8)22-15(18-11)19-14(20)9-5-10(9)16/h2-4,6,9-10H,5H2,1H3,(H,18,19,20)/t9-,10+/m1/s1.
What are the key properties of cis-(1S,2S)-2-fluoro-N-[6-(5-methyl-1,3-thiazol-4-yl)-1,3-benzothiazol-2-yl]cyclopropane-1-carboxamide?
cis-(1S,2S)-2-fluoro-N-[6-(5-methyl-1,3-thiazol-4-yl)-1,3-benzothiazol-2-yl]cyclopropane-1-carboxamide has a molecular weight of 333.41 g/mol, XLogP of 4.02, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1S,2S)-2-fluoro-N-[6-(5-methyl-1,3-thiazol-4-yl)-1,3-benzothiazol-2-yl]cyclopropane-1-carboxamide is sourced from PubChem (CID 138504792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).