2-methylidene-N-(1,3-thiazol-5-ylmethyl)cyclopropan-1-amine

C8H10N2S — CID 163653305

IUPAC2-methylidene-N-(1,3-thiazol-5-ylmethyl)cyclopropan-1-amine
SMILESC=C1CC1NCc1cncs1
InChIInChI=1S/C8H10N2S/c1-6-2-8(6)10-4-7-3-9-5-11-7/h3,5,8,10H,1-2,4H2
InChIKeyIOBJAHYZYJUIRT-UHFFFAOYSA-N
MW166.25 g/mol
LogP1.56
Rot. Bonds3

About 2-methylidene-N-(1,3-thiazol-5-ylmethyl)cyclopropan-1-amine

2-methylidene-N-(1,3-thiazol-5-ylmethyl)cyclopropan-1-amine (PubChem CID 163653305) has the molecular formula C8H10N2S and a molecular weight of 166.25 g/mol. Its IUPAC name is 2-methylidene-N-(1,3-thiazol-5-ylmethyl)cyclopropan-1-amine.

Molecular Properties

Compound Name2-methylidene-N-(1,3-thiazol-5-ylmethyl)cyclopropan-1-amine
PubChem CID163653305
Molecular FormulaC8H10N2S
Molecular Weight166.25 g/mol
Exact Mass166.06
IUPAC Name2-methylidene-N-(1,3-thiazol-5-ylmethyl)cyclopropan-1-amine
SMILESC=C1CC1NCc1cncs1
InChIInChI=1S/C8H10N2S/c1-6-2-8(6)10-4-7-3-9-5-11-7/h3,5,8,10H,1-2,4H2
InChIKeyIOBJAHYZYJUIRT-UHFFFAOYSA-N
XLogP1.56
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.25
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-methyl-4-(1,3-thiazol-5-ylmethylamino)pyrrolidin-2-one
CID 130163196
N-(1,3-thiazol-5-ylmethyl)-2,3-dihydro-1-benzothiophen-3-amine
CID 115732522
2-ethyl-N-(1,3-thiazol-5-ylmethyl)cyclopentan-1-amine
CID 115732788
2-(1,3-thiazol-5-ylmethylamino)cyclohexan-1-ol
CID 62758912
(2R,3R)-2-methyl-N-(1,3-thiazol-5-ylmethyl)oxolan-3-amine
CID 130933670
2-N-(1,3-thiazol-5-ylmethyl)cyclohexane-1,2-diamine
CID 71644176
N-(1,3-thiazol-5-ylmethyl)hydroxylamine
CID 82687431
(3S)-N-(1,3-thiazol-5-ylmethyl)oxan-3-amine
CID 130891979
1-methyl-N-(1,3-thiazol-5-ylmethyl)-4,5,6,7-tetrahydroindazol-4-amine
CID 55110101
1-methyl-N-(1,3-thiazol-5-ylmethyl)cyclopropan-1-amine
CID 115732524
1-cyclopropyl-N-(1,3-thiazol-5-ylmethyl)methanamine;hydrochloride
CID 167715845
3-cyclopropyl-N-(1,3-thiazol-5-ylmethyl)-1,2,4-thiadiazol-5-amine
CID 104577421

Frequently Asked Questions

What is the IUPAC name of 2-methylidene-N-(1,3-thiazol-5-ylmethyl)cyclopropan-1-amine?
The IUPAC name of 2-methylidene-N-(1,3-thiazol-5-ylmethyl)cyclopropan-1-amine (CID 163653305) is 2-methylidene-N-(1,3-thiazol-5-ylmethyl)cyclopropan-1-amine.
What is the SMILES notation for 2-methylidene-N-(1,3-thiazol-5-ylmethyl)cyclopropan-1-amine?
The canonical SMILES for 2-methylidene-N-(1,3-thiazol-5-ylmethyl)cyclopropan-1-amine is C=C1CC1NCc1cncs1.
What is the InChIKey of 2-methylidene-N-(1,3-thiazol-5-ylmethyl)cyclopropan-1-amine?
The InChIKey is IOBJAHYZYJUIRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N2S/c1-6-2-8(6)10-4-7-3-9-5-11-7/h3,5,8,10H,1-2,4H2.
What are the key properties of 2-methylidene-N-(1,3-thiazol-5-ylmethyl)cyclopropan-1-amine?
2-methylidene-N-(1,3-thiazol-5-ylmethyl)cyclopropan-1-amine has a molecular weight of 166.25 g/mol, XLogP of 1.56, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylidene-N-(1,3-thiazol-5-ylmethyl)cyclopropan-1-amine is sourced from PubChem (CID 163653305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).