cis-(1R,2S)-N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-2-methylcyclopropane-1-carboxamide

C10H13N3OS — CID 841900

IUPACcis-(1R,2S)-N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-2-methylcyclopropane-1-carboxamide
SMILESC[C@H]1C[C@H]1C(=O)Nc1nnc(C2CC2)s1
InChIInChI=1S/C10H13N3OS/c1-5-4-7(5)8(14)11-10-13-12-9(15-10)6-2-3-6/h5-7H,2-4H2,1H3,(H,11,13,14)/t5-,7+/m0/s1
InChIKeyJCTYEPZJGLBQKZ-CAHLUQPWSA-N
MW223.30 g/mol
LogP2.01
Rot. Bonds3

About cis-(1R,2S)-N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-2-methylcyclopropane-1-carboxamide

cis-(1R,2S)-N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-2-methylcyclopropane-1-carboxamide (PubChem CID 841900) has the molecular formula C10H13N3OS and a molecular weight of 223.30 g/mol. Its IUPAC name is cis-(1R,2S)-N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-2-methylcyclopropane-1-carboxamide.

Molecular Properties

Compound Namecis-(1R,2S)-N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-2-methylcyclopropane-1-carboxamide
PubChem CID841900
Molecular FormulaC10H13N3OS
Molecular Weight223.30 g/mol
Exact Mass223.08
IUPAC Namecis-(1R,2S)-N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-2-methylcyclopropane-1-carboxamide
SMILESC[C@H]1C[C@H]1C(=O)Nc1nnc(C2CC2)s1
InChIInChI=1S/C10H13N3OS/c1-5-4-7(5)8(14)11-10-13-12-9(15-10)6-2-3-6/h5-7H,2-4H2,1H3,(H,11,13,14)/t5-,7+/m0/s1
InChIKeyJCTYEPZJGLBQKZ-CAHLUQPWSA-N
XLogP2.01
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.30
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(5-cyclopropyl-1,3,4-thiadiazol-2-yl)carbamoyl]cyclohexane-1-carboxylic acid
CID 2932957
cis-(1R,2S)-N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-2-(5-methylthiophen-2-yl)cyclopropane-1-carboxamide
CID 97071554
1-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-3-(2-methylcyclopentyl)urea
CID 167749021
N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)but-2-enamide
CID 4799650
N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-2-(2-fluorophenyl)cyclopropane-1-carboxamide
CID 71943713
N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-2-methylbutanamide
CID 42936586
N-[5-[3-(5-acetamido-1,3,4-thiadiazol-2-yl)cyclohexyl]-1,3,4-thiadiazol-2-yl]acetamide
CID 123932745
2-amino-N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)acetamide;hydrochloride
CID 130694011
3-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-1-ethyl-1-methylurea
CID 86768814
trans-(1S,2S)-N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)-2-methylcyclopropane-1-carboxamide
CID 2111712
1-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-3-[(2S)-3-methylbutan-2-yl]urea
CID 52593631
N-[5-[4-(5-acetamido-1,3,4-thiadiazol-2-yl)cyclohexyl]-1,3,4-thiadiazol-2-yl]propanamide
CID 139461012

Frequently Asked Questions

What is the IUPAC name of cis-(1R,2S)-N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-2-methylcyclopropane-1-carboxamide?
The IUPAC name of cis-(1R,2S)-N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-2-methylcyclopropane-1-carboxamide (CID 841900) is cis-(1R,2S)-N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-2-methylcyclopropane-1-carboxamide.
What is the SMILES notation for cis-(1R,2S)-N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-2-methylcyclopropane-1-carboxamide?
The canonical SMILES for cis-(1R,2S)-N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-2-methylcyclopropane-1-carboxamide is C[C@H]1C[C@H]1C(=O)Nc1nnc(C2CC2)s1.
What is the InChIKey of cis-(1R,2S)-N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-2-methylcyclopropane-1-carboxamide?
The InChIKey is JCTYEPZJGLBQKZ-CAHLUQPWSA-N. The full InChI is InChI=1S/C10H13N3OS/c1-5-4-7(5)8(14)11-10-13-12-9(15-10)6-2-3-6/h5-7H,2-4H2,1H3,(H,11,13,14)/t5-,7+/m0/s1.
What are the key properties of cis-(1R,2S)-N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-2-methylcyclopropane-1-carboxamide?
cis-(1R,2S)-N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-2-methylcyclopropane-1-carboxamide has a molecular weight of 223.30 g/mol, XLogP of 2.01, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1R,2S)-N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-2-methylcyclopropane-1-carboxamide is sourced from PubChem (CID 841900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).