(1S)-N-[2-(5-amino-1,3,4-thiadiazol-2-yl)ethyl]-2,2-dimethyl-1-thiophen-2-ylcyclopropane-1-carboxamide

C14H18N4OS2 — CID 95227193

IUPAC(1S)-N-[2-(5-amino-1,3,4-thiadiazol-2-yl)ethyl]-2,2-dimethyl-1-thiophen-2-ylcyclopropane-1-carboxamide
SMILESCC1(C)C[C@]1(C(=O)NCCc1nnc(N)s1)c1cccs1
InChIInChI=1S/C14H18N4OS2/c1-13(2)8-14(13,9-4-3-7-20-9)11(19)16-6-5-10-17-18-12(15)21-10/h3-4,7H,5-6,8H2,1-2H3,(H2,15,18)(H,16,19)/t14-/m1/s1
InChIKeyZLYASXYZHRDAJJ-CQSZACIVSA-N
MW322.46 g/mol
LogP2.21
Rot. Bonds5

About (1S)-N-[2-(5-amino-1,3,4-thiadiazol-2-yl)ethyl]-2,2-dimethyl-1-thiophen-2-ylcyclopropane-1-carboxamide

(1S)-N-[2-(5-amino-1,3,4-thiadiazol-2-yl)ethyl]-2,2-dimethyl-1-thiophen-2-ylcyclopropane-1-carboxamide (PubChem CID 95227193) has the molecular formula C14H18N4OS2 and a molecular weight of 322.46 g/mol. Its IUPAC name is (1S)-N-[2-(5-amino-1,3,4-thiadiazol-2-yl)ethyl]-2,2-dimethyl-1-thiophen-2-ylcyclopropane-1-carboxamide.

Molecular Properties

Compound Name(1S)-N-[2-(5-amino-1,3,4-thiadiazol-2-yl)ethyl]-2,2-dimethyl-1-thiophen-2-ylcyclopropane-1-carboxamide
PubChem CID95227193
Molecular FormulaC14H18N4OS2
Molecular Weight322.46 g/mol
Exact Mass322.09
IUPAC Name(1S)-N-[2-(5-amino-1,3,4-thiadiazol-2-yl)ethyl]-2,2-dimethyl-1-thiophen-2-ylcyclopropane-1-carboxamide
SMILESCC1(C)C[C@]1(C(=O)NCCc1nnc(N)s1)c1cccs1
InChIInChI=1S/C14H18N4OS2/c1-13(2)8-14(13,9-4-3-7-20-9)11(19)16-6-5-10-17-18-12(15)21-10/h3-4,7H,5-6,8H2,1-2H3,(H2,15,18)(H,16,19)/t14-/m1/s1
InChIKeyZLYASXYZHRDAJJ-CQSZACIVSA-N
XLogP2.21
TPSA80.90 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.46
LogP ≤ 52.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

(1R)-2,2-dimethyl-N-(2-pyridin-4-ylethyl)-1-thiophen-2-ylcyclopropane-1-carboxamide
CID 99972742
4-[[[(1S)-2,2-dimethyl-1-thiophen-2-ylcyclopropanecarbonyl]amino]methyl]benzamide
CID 125439628
3-(5-amino-1,3,4-thiadiazol-2-yl)-1-thiophen-2-ylpropan-1-one
CID 50994805
(1R)-2,2-dimethyl-N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]-1-thiophen-2-ylcyclopropane-1-carboxamide
CID 125160348
(1S)-N-[(6-methoxy-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]-2,2-dimethyl-1-thiophen-2-ylcyclopropane-1-carboxamide
CID 125166903
N-[(1,2-dimethylbenzimidazol-5-yl)methyl]-2,2-dimethyl-1-thiophen-2-ylcyclopropane-1-carboxamide
CID 131941007
(E)-N-[2-(5-amino-1,3,4-thiadiazol-2-yl)ethyl]-3-phenylprop-2-enamide
CID 91790359
4-[[(1S)-2,2-dimethyl-1-thiophen-2-ylcyclopropanecarbonyl]amino]-N-ethylpiperidine-1-carboxamide
CID 95204397
N-[2-(5-amino-1,3,4-thiadiazol-2-yl)ethyl]benzenesulfonamide
CID 92659518
N-[2-(5-amino-1,3,4-thiadiazol-2-yl)ethyl]-3-pyridin-4-ylazetidine-1-carboxamide
CID 131941315
N-[2-(4-aminophenyl)ethyl]-1-thiophen-2-ylcyclohexane-1-carboxamide;hydrochloride
CID 119548840
N-[2-(5-amino-1,3,4-thiadiazol-2-yl)ethyl]-2-nitrobenzamide
CID 92659482

Frequently Asked Questions

What is the IUPAC name of (1S)-N-[2-(5-amino-1,3,4-thiadiazol-2-yl)ethyl]-2,2-dimethyl-1-thiophen-2-ylcyclopropane-1-carboxamide?
The IUPAC name of (1S)-N-[2-(5-amino-1,3,4-thiadiazol-2-yl)ethyl]-2,2-dimethyl-1-thiophen-2-ylcyclopropane-1-carboxamide (CID 95227193) is (1S)-N-[2-(5-amino-1,3,4-thiadiazol-2-yl)ethyl]-2,2-dimethyl-1-thiophen-2-ylcyclopropane-1-carboxamide.
What is the SMILES notation for (1S)-N-[2-(5-amino-1,3,4-thiadiazol-2-yl)ethyl]-2,2-dimethyl-1-thiophen-2-ylcyclopropane-1-carboxamide?
The canonical SMILES for (1S)-N-[2-(5-amino-1,3,4-thiadiazol-2-yl)ethyl]-2,2-dimethyl-1-thiophen-2-ylcyclopropane-1-carboxamide is CC1(C)C[C@]1(C(=O)NCCc1nnc(N)s1)c1cccs1.
What is the InChIKey of (1S)-N-[2-(5-amino-1,3,4-thiadiazol-2-yl)ethyl]-2,2-dimethyl-1-thiophen-2-ylcyclopropane-1-carboxamide?
The InChIKey is ZLYASXYZHRDAJJ-CQSZACIVSA-N. The full InChI is InChI=1S/C14H18N4OS2/c1-13(2)8-14(13,9-4-3-7-20-9)11(19)16-6-5-10-17-18-12(15)21-10/h3-4,7H,5-6,8H2,1-2H3,(H2,15,18)(H,16,19)/t14-/m1/s1.
What are the key properties of (1S)-N-[2-(5-amino-1,3,4-thiadiazol-2-yl)ethyl]-2,2-dimethyl-1-thiophen-2-ylcyclopropane-1-carboxamide?
(1S)-N-[2-(5-amino-1,3,4-thiadiazol-2-yl)ethyl]-2,2-dimethyl-1-thiophen-2-ylcyclopropane-1-carboxamide has a molecular weight of 322.46 g/mol, XLogP of 2.21, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-N-[2-(5-amino-1,3,4-thiadiazol-2-yl)ethyl]-2,2-dimethyl-1-thiophen-2-ylcyclopropane-1-carboxamide is sourced from PubChem (CID 95227193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).