cis-(1R,2S)-3-methylidene-1-N,2-N-bis(1,3-thiazol-2-yl)cyclopropane-1,2-dicarboxamide

C12H10N4O2S2 — CID 2313436

IUPACcis-(1R,2S)-3-methylidene-1-N,2-N-bis(1,3-thiazol-2-yl)cyclopropane-1,2-dicarboxamide
SMILESC=C1[C@H](C(=O)Nc2nccs2)[C@@H]1C(=O)Nc1nccs1
InChIInChI=1S/C12H10N4O2S2/c1-6-7(9(17)15-11-13-2-4-19-11)8(6)10(18)16-12-14-3-5-20-12/h2-5,7-8H,1H2,(H,13,15,17)(H,14,16,18)/t7-,8+
InChIKeyJFUCXESYPMLJPO-OCAPTIKFSA-N
MW306.37 g/mol
LogP1.98
Rot. Bonds4

About cis-(1R,2S)-3-methylidene-1-N,2-N-bis(1,3-thiazol-2-yl)cyclopropane-1,2-dicarboxamide

cis-(1R,2S)-3-methylidene-1-N,2-N-bis(1,3-thiazol-2-yl)cyclopropane-1,2-dicarboxamide (PubChem CID 2313436) has the molecular formula C12H10N4O2S2 and a molecular weight of 306.37 g/mol. Its IUPAC name is cis-(1R,2S)-3-methylidene-1-N,2-N-bis(1,3-thiazol-2-yl)cyclopropane-1,2-dicarboxamide.

Molecular Properties

Compound Namecis-(1R,2S)-3-methylidene-1-N,2-N-bis(1,3-thiazol-2-yl)cyclopropane-1,2-dicarboxamide
PubChem CID2313436
Molecular FormulaC12H10N4O2S2
Molecular Weight306.37 g/mol
Exact Mass306.02
IUPAC Namecis-(1R,2S)-3-methylidene-1-N,2-N-bis(1,3-thiazol-2-yl)cyclopropane-1,2-dicarboxamide
SMILESC=C1[C@H](C(=O)Nc2nccs2)[C@@H]1C(=O)Nc1nccs1
InChIInChI=1S/C12H10N4O2S2/c1-6-7(9(17)15-11-13-2-4-19-11)8(6)10(18)16-12-14-3-5-20-12/h2-5,7-8H,1H2,(H,13,15,17)(H,14,16,18)/t7-,8+
InChIKeyJFUCXESYPMLJPO-OCAPTIKFSA-N
XLogP1.98
TPSA83.98 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.37
LogP ≤ 51.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

molecular hydrogen;N-(1,3-thiazol-2-yl)acetamide
CID 143921220
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CID 130992868
N-(1,3-thiazol-2-yl)prop-2-ynamide
CID 45121776
(1S,6S)-6-(1,3-thiazol-2-ylcarbamoyl)cyclohex-3-ene-1-carboxylic acid
CID 842623
1-cyclopropyl-3-(1,3-thiazol-2-yl)urea
CID 108887577
(1R,4S,6R,9R)-10,10-dichloro-N-(1,3-thiazol-2-yl)tricyclo[7.1.0.04,6]decane-5-carboxamide
CID 98506991
(3R)-2,2-dimethyl-5-oxo-N-(1,3-thiazol-2-yl)oxolane-3-carboxamide
CID 97425366
trans-(1S,3R)-2,2-dimethyl-3-(2-methylprop-1-enyl)-N-(1,3-thiazol-2-yl)cyclopropane-1-carboxamide
CID 27146998
(1R,2R,3S,4R)-3-(1,3-thiazol-2-ylcarbamoyl)bicyclo[2.2.1]hept-5-ene-2-carboxylic acid
CID 99720494
1-hydroxy-N-(1,3-thiazol-2-yl)cyclopentane-1-carboxamide
CID 110906941
2-bromo-2-methyl-N-(1,3-thiazol-2-yl)propanamide
CID 818142

Frequently Asked Questions

What is the IUPAC name of cis-(1R,2S)-3-methylidene-1-N,2-N-bis(1,3-thiazol-2-yl)cyclopropane-1,2-dicarboxamide?
The IUPAC name of cis-(1R,2S)-3-methylidene-1-N,2-N-bis(1,3-thiazol-2-yl)cyclopropane-1,2-dicarboxamide (CID 2313436) is cis-(1R,2S)-3-methylidene-1-N,2-N-bis(1,3-thiazol-2-yl)cyclopropane-1,2-dicarboxamide.
What is the SMILES notation for cis-(1R,2S)-3-methylidene-1-N,2-N-bis(1,3-thiazol-2-yl)cyclopropane-1,2-dicarboxamide?
The canonical SMILES for cis-(1R,2S)-3-methylidene-1-N,2-N-bis(1,3-thiazol-2-yl)cyclopropane-1,2-dicarboxamide is C=C1[C@H](C(=O)Nc2nccs2)[C@@H]1C(=O)Nc1nccs1.
What is the InChIKey of cis-(1R,2S)-3-methylidene-1-N,2-N-bis(1,3-thiazol-2-yl)cyclopropane-1,2-dicarboxamide?
The InChIKey is JFUCXESYPMLJPO-OCAPTIKFSA-N. The full InChI is InChI=1S/C12H10N4O2S2/c1-6-7(9(17)15-11-13-2-4-19-11)8(6)10(18)16-12-14-3-5-20-12/h2-5,7-8H,1H2,(H,13,15,17)(H,14,16,18)/t7-,8+.
What are the key properties of cis-(1R,2S)-3-methylidene-1-N,2-N-bis(1,3-thiazol-2-yl)cyclopropane-1,2-dicarboxamide?
cis-(1R,2S)-3-methylidene-1-N,2-N-bis(1,3-thiazol-2-yl)cyclopropane-1,2-dicarboxamide has a molecular weight of 306.37 g/mol, XLogP of 1.98, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1R,2S)-3-methylidene-1-N,2-N-bis(1,3-thiazol-2-yl)cyclopropane-1,2-dicarboxamide is sourced from PubChem (CID 2313436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).