1-cyclopropyl-N-[cyclopropyl-(4-methyl-1,3-thiazol-2-yl)methyl]propan-2-amine

C14H22N2S — CID 75383313

IUPAC1-cyclopropyl-N-[cyclopropyl-(4-methyl-1,3-thiazol-2-yl)methyl]propan-2-amine
SMILESCc1csc(C(NC(C)CC2CC2)C2CC2)n1
InChIInChI=1S/C14H22N2S/c1-9(7-11-3-4-11)15-13(12-5-6-12)14-16-10(2)8-17-14/h8-9,11-13,15H,3-7H2,1-2H3
InChIKeyMWANTBSXULGPNE-UHFFFAOYSA-N
MW250.41 g/mol
LogP3.68
Rot. Bonds6

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

1-cyclopropyl-N-[cyclopropyl-(4-methyl-1,3-thiazol-2-yl)methyl]propan-2-amine (PubChem CID 75383313) has the molecular formula C14H22N2S and a molecular weight of 250.41 g/mol. Its IUPAC name is 1-cyclopropyl-N-[cyclopropyl-(4-methyl-1,3-thiazol-2-yl)methyl]propan-2-amine.

Molecular Properties

Compound Name1-cyclopropyl-N-[cyclopropyl-(4-methyl-1,3-thiazol-2-yl)methyl]propan-2-amine
PubChem CID75383313
Molecular FormulaC14H22N2S
Molecular Weight250.41 g/mol
Exact Mass250.15
IUPAC Name1-cyclopropyl-N-[cyclopropyl-(4-methyl-1,3-thiazol-2-yl)methyl]propan-2-amine
SMILESCc1csc(C(NC(C)CC2CC2)C2CC2)n1
InChIInChI=1S/C14H22N2S/c1-9(7-11-3-4-11)15-13(12-5-6-12)14-16-10(2)8-17-14/h8-9,11-13,15H,3-7H2,1-2H3
InChIKeyMWANTBSXULGPNE-UHFFFAOYSA-N
XLogP3.68
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.41
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-N-[cyclopropyl-(4-methyl-1,3-thiazol-2-yl)methyl]propan-2-amine?
The IUPAC name of 1-cyclopropyl-N-[cyclopropyl-(4-methyl-1,3-thiazol-2-yl)methyl]propan-2-amine (CID 75383313) is 1-cyclopropyl-N-[cyclopropyl-(4-methyl-1,3-thiazol-2-yl)methyl]propan-2-amine.
What is the SMILES notation for 1-cyclopropyl-N-[cyclopropyl-(4-methyl-1,3-thiazol-2-yl)methyl]propan-2-amine?
The canonical SMILES for 1-cyclopropyl-N-[cyclopropyl-(4-methyl-1,3-thiazol-2-yl)methyl]propan-2-amine is Cc1csc(C(NC(C)CC2CC2)C2CC2)n1.
What is the InChIKey of 1-cyclopropyl-N-[cyclopropyl-(4-methyl-1,3-thiazol-2-yl)methyl]propan-2-amine?
The InChIKey is MWANTBSXULGPNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2S/c1-9(7-11-3-4-11)15-13(12-5-6-12)14-16-10(2)8-17-14/h8-9,11-13,15H,3-7H2,1-2H3.
What are the key properties of 1-cyclopropyl-N-[cyclopropyl-(4-methyl-1,3-thiazol-2-yl)methyl]propan-2-amine?
1-cyclopropyl-N-[cyclopropyl-(4-methyl-1,3-thiazol-2-yl)methyl]propan-2-amine has a molecular weight of 250.41 g/mol, XLogP of 3.68, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-N-[cyclopropyl-(4-methyl-1,3-thiazol-2-yl)methyl]propan-2-amine is sourced from PubChem (CID 75383313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).