2,2-dimethyl-3-(2-methyl-1,3-thiazol-5-yl)cyclopropan-1-amine

C9H14N2S — CID 130580402

IUPAC2,2-dimethyl-3-(2-methyl-1,3-thiazol-5-yl)cyclopropan-1-amine
SMILESCc1ncc(C2C(N)C2(C)C)s1
InChIInChI=1S/C9H14N2S/c1-5-11-4-6(12-5)7-8(10)9(7,2)3/h4,7-8H,10H2,1-3H3
InChIKeyBSWZZYIOVKIZNI-UHFFFAOYSA-N
MW182.29 g/mol
LogP1.90
Rot. Bonds1

About 2,2-dimethyl-3-(2-methyl-1,3-thiazol-5-yl)cyclopropan-1-amine

2,2-dimethyl-3-(2-methyl-1,3-thiazol-5-yl)cyclopropan-1-amine (PubChem CID 130580402) has the molecular formula C9H14N2S and a molecular weight of 182.29 g/mol. Its IUPAC name is 2,2-dimethyl-3-(2-methyl-1,3-thiazol-5-yl)cyclopropan-1-amine.

Molecular Properties

Compound Name2,2-dimethyl-3-(2-methyl-1,3-thiazol-5-yl)cyclopropan-1-amine
PubChem CID130580402
Molecular FormulaC9H14N2S
Molecular Weight182.29 g/mol
Exact Mass182.09
IUPAC Name2,2-dimethyl-3-(2-methyl-1,3-thiazol-5-yl)cyclopropan-1-amine
SMILESCc1ncc(C2C(N)C2(C)C)s1
InChIInChI=1S/C9H14N2S/c1-5-11-4-6(12-5)7-8(10)9(7,2)3/h4,7-8H,10H2,1-3H3
InChIKeyBSWZZYIOVKIZNI-UHFFFAOYSA-N
XLogP1.90
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.29
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-3-(2-methyl-1,3-thiazol-5-yl)cyclopropan-1-amine?
The IUPAC name of 2,2-dimethyl-3-(2-methyl-1,3-thiazol-5-yl)cyclopropan-1-amine (CID 130580402) is 2,2-dimethyl-3-(2-methyl-1,3-thiazol-5-yl)cyclopropan-1-amine.
What is the SMILES notation for 2,2-dimethyl-3-(2-methyl-1,3-thiazol-5-yl)cyclopropan-1-amine?
The canonical SMILES for 2,2-dimethyl-3-(2-methyl-1,3-thiazol-5-yl)cyclopropan-1-amine is Cc1ncc(C2C(N)C2(C)C)s1.
What is the InChIKey of 2,2-dimethyl-3-(2-methyl-1,3-thiazol-5-yl)cyclopropan-1-amine?
The InChIKey is BSWZZYIOVKIZNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2S/c1-5-11-4-6(12-5)7-8(10)9(7,2)3/h4,7-8H,10H2,1-3H3.
What are the key properties of 2,2-dimethyl-3-(2-methyl-1,3-thiazol-5-yl)cyclopropan-1-amine?
2,2-dimethyl-3-(2-methyl-1,3-thiazol-5-yl)cyclopropan-1-amine has a molecular weight of 182.29 g/mol, XLogP of 1.90, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-3-(2-methyl-1,3-thiazol-5-yl)cyclopropan-1-amine is sourced from PubChem (CID 130580402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).