(2-fluoro-1-methylcyclopropyl)-(2-methyl-1,3-thiazol-4-yl)methanamine

C9H13FN2S — CID 130900740

IUPAC(2-fluoro-1-methylcyclopropyl)-(2-methyl-1,3-thiazol-4-yl)methanamine
SMILESCc1nc(C(N)C2(C)CC2F)cs1
InChIInChI=1S/C9H13FN2S/c1-5-12-6(4-13-5)8(11)9(2)3-7(9)10/h4,7-8H,3,11H2,1-2H3
InChIKeyFCRNBTASBNUTDY-UHFFFAOYSA-N
MW200.28 g/mol
LogP2.20
Rot. Bonds2

About (2-fluoro-1-methylcyclopropyl)-(2-methyl-1,3-thiazol-4-yl)methanamine

(2-fluoro-1-methylcyclopropyl)-(2-methyl-1,3-thiazol-4-yl)methanamine (PubChem CID 130900740) has the molecular formula C9H13FN2S and a molecular weight of 200.28 g/mol. Its IUPAC name is (2-fluoro-1-methylcyclopropyl)-(2-methyl-1,3-thiazol-4-yl)methanamine.

Molecular Properties

Compound Name(2-fluoro-1-methylcyclopropyl)-(2-methyl-1,3-thiazol-4-yl)methanamine
PubChem CID130900740
Molecular FormulaC9H13FN2S
Molecular Weight200.28 g/mol
Exact Mass200.08
IUPAC Name(2-fluoro-1-methylcyclopropyl)-(2-methyl-1,3-thiazol-4-yl)methanamine
SMILESCc1nc(C(N)C2(C)CC2F)cs1
InChIInChI=1S/C9H13FN2S/c1-5-12-6(4-13-5)8(11)9(2)3-7(9)10/h4,7-8H,3,11H2,1-2H3
InChIKeyFCRNBTASBNUTDY-UHFFFAOYSA-N
XLogP2.20
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.28
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2-fluoro-1-methylcyclopropyl)-(2-methyl-1,3-thiazol-4-yl)methanamine?
The IUPAC name of (2-fluoro-1-methylcyclopropyl)-(2-methyl-1,3-thiazol-4-yl)methanamine (CID 130900740) is (2-fluoro-1-methylcyclopropyl)-(2-methyl-1,3-thiazol-4-yl)methanamine.
What is the SMILES notation for (2-fluoro-1-methylcyclopropyl)-(2-methyl-1,3-thiazol-4-yl)methanamine?
The canonical SMILES for (2-fluoro-1-methylcyclopropyl)-(2-methyl-1,3-thiazol-4-yl)methanamine is Cc1nc(C(N)C2(C)CC2F)cs1.
What is the InChIKey of (2-fluoro-1-methylcyclopropyl)-(2-methyl-1,3-thiazol-4-yl)methanamine?
The InChIKey is FCRNBTASBNUTDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13FN2S/c1-5-12-6(4-13-5)8(11)9(2)3-7(9)10/h4,7-8H,3,11H2,1-2H3.
What are the key properties of (2-fluoro-1-methylcyclopropyl)-(2-methyl-1,3-thiazol-4-yl)methanamine?
(2-fluoro-1-methylcyclopropyl)-(2-methyl-1,3-thiazol-4-yl)methanamine has a molecular weight of 200.28 g/mol, XLogP of 2.20, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-fluoro-1-methylcyclopropyl)-(2-methyl-1,3-thiazol-4-yl)methanamine is sourced from PubChem (CID 130900740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).