1-cyclopropyl-1-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-N-methylbutan-1-amine

C14H22N2S — CID 114276076

IUPAC1-cyclopropyl-1-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-N-methylbutan-1-amine
SMILESCCCC(NC)(c1nc2c(s1)CCC2)C1CC1
InChIInChI=1S/C14H22N2S/c1-3-9-14(15-2,10-7-8-10)13-16-11-5-4-6-12(11)17-13/h10,15H,3-9H2,1-2H3
InChIKeyYNZFYVKKDVAFHU-UHFFFAOYSA-N
MW250.41 g/mol
LogP3.26
Rot. Bonds5

About 1-cyclopropyl-1-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-N-methylbutan-1-amine

1-cyclopropyl-1-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-N-methylbutan-1-amine (PubChem CID 114276076) has the molecular formula C14H22N2S and a molecular weight of 250.41 g/mol. Its IUPAC name is 1-cyclopropyl-1-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-N-methylbutan-1-amine.

Molecular Properties

Compound Name1-cyclopropyl-1-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-N-methylbutan-1-amine
PubChem CID114276076
Molecular FormulaC14H22N2S
Molecular Weight250.41 g/mol
Exact Mass250.15
IUPAC Name1-cyclopropyl-1-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-N-methylbutan-1-amine
SMILESCCCC(NC)(c1nc2c(s1)CCC2)C1CC1
InChIInChI=1S/C14H22N2S/c1-3-9-14(15-2,10-7-8-10)13-16-11-5-4-6-12(11)17-13/h10,15H,3-9H2,1-2H3
InChIKeyYNZFYVKKDVAFHU-UHFFFAOYSA-N
XLogP3.26
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.41
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-1-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-N-methylbutan-1-amine?
The IUPAC name of 1-cyclopropyl-1-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-N-methylbutan-1-amine (CID 114276076) is 1-cyclopropyl-1-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-N-methylbutan-1-amine.
What is the SMILES notation for 1-cyclopropyl-1-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-N-methylbutan-1-amine?
The canonical SMILES for 1-cyclopropyl-1-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-N-methylbutan-1-amine is CCCC(NC)(c1nc2c(s1)CCC2)C1CC1.
What is the InChIKey of 1-cyclopropyl-1-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-N-methylbutan-1-amine?
The InChIKey is YNZFYVKKDVAFHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2S/c1-3-9-14(15-2,10-7-8-10)13-16-11-5-4-6-12(11)17-13/h10,15H,3-9H2,1-2H3.
What are the key properties of 1-cyclopropyl-1-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-N-methylbutan-1-amine?
1-cyclopropyl-1-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-N-methylbutan-1-amine has a molecular weight of 250.41 g/mol, XLogP of 3.26, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-1-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-N-methylbutan-1-amine is sourced from PubChem (CID 114276076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).