trans-(1S,2S)-N-(4-naphthalen-1-yl-1,3-thiazol-2-yl)-2-phenylcyclopropane-1-carboxamide

C23H18N2OS — CID 1220752

IUPACtrans-(1S,2S)-N-(4-naphthalen-1-yl-1,3-thiazol-2-yl)-2-phenylcyclopropane-1-carboxamide
SMILESO=C(Nc1nc(-c2cccc3ccccc23)cs1)[C@H]1C[C@@H]1c1ccccc1
InChIInChI=1S/C23H18N2OS/c26-22(20-13-19(20)16-7-2-1-3-8-16)25-23-24-21(14-27-23)18-12-6-10-15-9-4-5-11-17(15)18/h1-12,14,19-20H,13H2,(H,24,25,26)/t19-,20+/m1/s1
InChIKeyKCWMJAKMSZUKOC-UXHICEINSA-N
MW370.48 g/mol
LogP5.71
Rot. Bonds4

About trans-(1S,2S)-N-(4-naphthalen-1-yl-1,3-thiazol-2-yl)-2-phenylcyclopropane-1-carboxamide

trans-(1S,2S)-N-(4-naphthalen-1-yl-1,3-thiazol-2-yl)-2-phenylcyclopropane-1-carboxamide (PubChem CID 1220752) has the molecular formula C23H18N2OS and a molecular weight of 370.48 g/mol. Its IUPAC name is trans-(1S,2S)-N-(4-naphthalen-1-yl-1,3-thiazol-2-yl)-2-phenylcyclopropane-1-carboxamide.

Molecular Properties

Compound Nametrans-(1S,2S)-N-(4-naphthalen-1-yl-1,3-thiazol-2-yl)-2-phenylcyclopropane-1-carboxamide
PubChem CID1220752
Molecular FormulaC23H18N2OS
Molecular Weight370.48 g/mol
Exact Mass370.11
IUPAC Nametrans-(1S,2S)-N-(4-naphthalen-1-yl-1,3-thiazol-2-yl)-2-phenylcyclopropane-1-carboxamide
SMILESO=C(Nc1nc(-c2cccc3ccccc23)cs1)[C@H]1C[C@@H]1c1ccccc1
InChIInChI=1S/C23H18N2OS/c26-22(20-13-19(20)16-7-2-1-3-8-16)25-23-24-21(14-27-23)18-12-6-10-15-9-4-5-11-17(15)18/h1-12,14,19-20H,13H2,(H,24,25,26)/t19-,20+/m1/s1
InChIKeyKCWMJAKMSZUKOC-UXHICEINSA-N
XLogP5.71
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500370.48
LogP ≤ 55.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-naphthalen-1-yl-1,3-thiazol-2-yl)bicyclo[2.2.1]heptane-2-carboxamide
CID 5006386
N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-2-phenylcyclopropane-1-carboxamide
CID 5015586
2-[2-[(4-naphthalen-1-yl-1,3-thiazol-2-yl)carbamoyl]phenyl]benzoic acid
CID 3228346
2-naphthalen-1-yloxy-N-(4-naphthalen-1-yl-1,3-thiazol-2-yl)acetamide
CID 4038077
4-fluoro-N-(4-naphthalen-1-yl-1,3-thiazol-2-yl)benzamide
CID 694785
N'-(4-naphthalen-1-yl-1,3-thiazol-2-yl)benzohydrazide
CID 21240087
2-acetamido-N-(4-naphthalen-1-yl-1,3-thiazol-2-yl)propanamide
CID 71904435
N-(4-naphthalen-1-yl-1,3-thiazol-2-yl)-4-phenylsulfanylbutanamide
CID 4038932
2-(1-adamantyl)-N-[(4-naphthalen-1-yl-1,3-thiazol-2-yl)carbamothioyl]acetamide
CID 5243664
N-[4-(2-chlorophenyl)-1,3-thiazol-2-yl]-2-hydroxycyclopentane-1-carboxamide
CID 110015753
4-(benzenesulfonyl)-N-(4-naphthalen-1-yl-1,3-thiazol-2-yl)butanamide
CID 41273052
N-(4-naphthalen-1-yl-1,3-thiazol-2-yl)-2-phenoxybutanamide
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Frequently Asked Questions

What is the IUPAC name of trans-(1S,2S)-N-(4-naphthalen-1-yl-1,3-thiazol-2-yl)-2-phenylcyclopropane-1-carboxamide?
The IUPAC name of trans-(1S,2S)-N-(4-naphthalen-1-yl-1,3-thiazol-2-yl)-2-phenylcyclopropane-1-carboxamide (CID 1220752) is trans-(1S,2S)-N-(4-naphthalen-1-yl-1,3-thiazol-2-yl)-2-phenylcyclopropane-1-carboxamide.
What is the SMILES notation for trans-(1S,2S)-N-(4-naphthalen-1-yl-1,3-thiazol-2-yl)-2-phenylcyclopropane-1-carboxamide?
The canonical SMILES for trans-(1S,2S)-N-(4-naphthalen-1-yl-1,3-thiazol-2-yl)-2-phenylcyclopropane-1-carboxamide is O=C(Nc1nc(-c2cccc3ccccc23)cs1)[C@H]1C[C@@H]1c1ccccc1.
What is the InChIKey of trans-(1S,2S)-N-(4-naphthalen-1-yl-1,3-thiazol-2-yl)-2-phenylcyclopropane-1-carboxamide?
The InChIKey is KCWMJAKMSZUKOC-UXHICEINSA-N. The full InChI is InChI=1S/C23H18N2OS/c26-22(20-13-19(20)16-7-2-1-3-8-16)25-23-24-21(14-27-23)18-12-6-10-15-9-4-5-11-17(15)18/h1-12,14,19-20H,13H2,(H,24,25,26)/t19-,20+/m1/s1.
What are the key properties of trans-(1S,2S)-N-(4-naphthalen-1-yl-1,3-thiazol-2-yl)-2-phenylcyclopropane-1-carboxamide?
trans-(1S,2S)-N-(4-naphthalen-1-yl-1,3-thiazol-2-yl)-2-phenylcyclopropane-1-carboxamide has a molecular weight of 370.48 g/mol, XLogP of 5.71, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1S,2S)-N-(4-naphthalen-1-yl-1,3-thiazol-2-yl)-2-phenylcyclopropane-1-carboxamide is sourced from PubChem (CID 1220752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).