N-[cyclopropyl-(5-methyl-1,3-thiazol-2-yl)methyl]propan-2-amine

C11H18N2S — CID 46785186

IUPACN-[cyclopropyl-(5-methyl-1,3-thiazol-2-yl)methyl]propan-2-amine
SMILESCc1cnc(C(NC(C)C)C2CC2)s1
InChIInChI=1S/C11H18N2S/c1-7(2)13-10(9-4-5-9)11-12-6-8(3)14-11/h6-7,9-10,13H,4-5H2,1-3H3
InChIKeyRQVVAYONBJKHOJ-UHFFFAOYSA-N
MW210.35 g/mol
LogP2.90
Rot. Bonds4

About N-[cyclopropyl-(5-methyl-1,3-thiazol-2-yl)methyl]propan-2-amine

N-[cyclopropyl-(5-methyl-1,3-thiazol-2-yl)methyl]propan-2-amine (PubChem CID 46785186) has the molecular formula C11H18N2S and a molecular weight of 210.35 g/mol. Its IUPAC name is N-[cyclopropyl-(5-methyl-1,3-thiazol-2-yl)methyl]propan-2-amine.

Molecular Properties

Compound NameN-[cyclopropyl-(5-methyl-1,3-thiazol-2-yl)methyl]propan-2-amine
PubChem CID46785186
Molecular FormulaC11H18N2S
Molecular Weight210.35 g/mol
Exact Mass210.12
IUPAC NameN-[cyclopropyl-(5-methyl-1,3-thiazol-2-yl)methyl]propan-2-amine
SMILESCc1cnc(C(NC(C)C)C2CC2)s1
InChIInChI=1S/C11H18N2S/c1-7(2)13-10(9-4-5-9)11-12-6-8(3)14-11/h6-7,9-10,13H,4-5H2,1-3H3
InChIKeyRQVVAYONBJKHOJ-UHFFFAOYSA-N
XLogP2.90
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.35
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[cyclopropyl-(5-methyl-1,3-thiazol-2-yl)methyl]propan-2-amine?
The IUPAC name of N-[cyclopropyl-(5-methyl-1,3-thiazol-2-yl)methyl]propan-2-amine (CID 46785186) is N-[cyclopropyl-(5-methyl-1,3-thiazol-2-yl)methyl]propan-2-amine.
What is the SMILES notation for N-[cyclopropyl-(5-methyl-1,3-thiazol-2-yl)methyl]propan-2-amine?
The canonical SMILES for N-[cyclopropyl-(5-methyl-1,3-thiazol-2-yl)methyl]propan-2-amine is Cc1cnc(C(NC(C)C)C2CC2)s1.
What is the InChIKey of N-[cyclopropyl-(5-methyl-1,3-thiazol-2-yl)methyl]propan-2-amine?
The InChIKey is RQVVAYONBJKHOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2S/c1-7(2)13-10(9-4-5-9)11-12-6-8(3)14-11/h6-7,9-10,13H,4-5H2,1-3H3.
What are the key properties of N-[cyclopropyl-(5-methyl-1,3-thiazol-2-yl)methyl]propan-2-amine?
N-[cyclopropyl-(5-methyl-1,3-thiazol-2-yl)methyl]propan-2-amine has a molecular weight of 210.35 g/mol, XLogP of 2.90, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[cyclopropyl-(5-methyl-1,3-thiazol-2-yl)methyl]propan-2-amine is sourced from PubChem (CID 46785186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).