2-methyl-N-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]cyclopropan-1-amine

C12H14N2S2 — CID 115614557

IUPAC2-methyl-N-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]cyclopropan-1-amine
SMILESCC1CC1NCc1csc(-c2cccs2)n1
InChIInChI=1S/C12H14N2S2/c1-8-5-10(8)13-6-9-7-16-12(14-9)11-3-2-4-15-11/h2-4,7-8,10,13H,5-6H2,1H3
InChIKeyBSZQJQCDDWXYMF-UHFFFAOYSA-N
MW250.39 g/mol
LogP3.37
Rot. Bonds4

About 2-methyl-N-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]cyclopropan-1-amine

2-methyl-N-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]cyclopropan-1-amine (PubChem CID 115614557) has the molecular formula C12H14N2S2 and a molecular weight of 250.39 g/mol. Its IUPAC name is 2-methyl-N-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]cyclopropan-1-amine.

Molecular Properties

Compound Name2-methyl-N-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]cyclopropan-1-amine
PubChem CID115614557
Molecular FormulaC12H14N2S2
Molecular Weight250.39 g/mol
Exact Mass250.06
IUPAC Name2-methyl-N-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]cyclopropan-1-amine
SMILESCC1CC1NCc1csc(-c2cccs2)n1
InChIInChI=1S/C12H14N2S2/c1-8-5-10(8)13-6-9-7-16-12(14-9)11-3-2-4-15-11/h2-4,7-8,10,13H,5-6H2,1H3
InChIKeyBSZQJQCDDWXYMF-UHFFFAOYSA-N
XLogP3.37
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.39
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-methyl-N-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methyl]cyclopropan-1-amine
CID 62396715
N-[(2-ethyl-1,3-thiazol-4-yl)methyl]-2-methylcyclopropan-1-amine
CID 62396376
N-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]butan-2-amine
CID 82515815
2-methoxy-N-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]ethanamine
CID 82515813
3-methyl-1-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methylamino]butan-2-ol
CID 111421916
[1-benzyl-4-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methylamino]piperidin-3-yl]methanol
CID 75373117
N-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]cyclohexanecarboxamide
CID 2738811
2-methyl-4-(2-thiophen-2-yl-1,3-thiazol-4-yl)butan-2-amine
CID 116888514
1-(1-hydroxy-2-methylpropan-2-yl)-3-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]urea
CID 121495515
3-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methylamino]propanoic acid
CID 120913165
1-phenyl-N-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]methanesulfonamide
CID 2738760
2-methyl-N-[(3-methylthiophen-2-yl)methyl]cyclopropan-1-amine
CID 62397682

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]cyclopropan-1-amine?
The IUPAC name of 2-methyl-N-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]cyclopropan-1-amine (CID 115614557) is 2-methyl-N-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]cyclopropan-1-amine.
What is the SMILES notation for 2-methyl-N-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]cyclopropan-1-amine?
The canonical SMILES for 2-methyl-N-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]cyclopropan-1-amine is CC1CC1NCc1csc(-c2cccs2)n1.
What is the InChIKey of 2-methyl-N-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]cyclopropan-1-amine?
The InChIKey is BSZQJQCDDWXYMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2S2/c1-8-5-10(8)13-6-9-7-16-12(14-9)11-3-2-4-15-11/h2-4,7-8,10,13H,5-6H2,1H3.
What are the key properties of 2-methyl-N-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]cyclopropan-1-amine?
2-methyl-N-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]cyclopropan-1-amine has a molecular weight of 250.39 g/mol, XLogP of 3.37, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]cyclopropan-1-amine is sourced from PubChem (CID 115614557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).