4-(2-methylpropyl)-N-(1-piperidin-1-ylpropan-2-yl)-4,5-dihydro-1,3-thiazol-2-amine

C15H29N3S — CID 61499906

IUPAC4-(2-methylpropyl)-N-(1-piperidin-1-ylpropan-2-yl)-4,5-dihydro-1,3-thiazol-2-amine
SMILESCC(C)CC1CSC(NC(C)CN2CCCCC2)=N1
InChIInChI=1S/C15H29N3S/c1-12(2)9-14-11-19-15(17-14)16-13(3)10-18-7-5-4-6-8-18/h12-14H,4-11H2,1-3H3,(H,16,17)
InChIKeyFQIBQBRLBSLWKF-UHFFFAOYSA-N
MW283.49 g/mol
LogP2.97
Rot. Bonds5

About 4-(2-methylpropyl)-N-(1-piperidin-1-ylpropan-2-yl)-4,5-dihydro-1,3-thiazol-2-amine

4-(2-methylpropyl)-N-(1-piperidin-1-ylpropan-2-yl)-4,5-dihydro-1,3-thiazol-2-amine (PubChem CID 61499906) has the molecular formula C15H29N3S and a molecular weight of 283.49 g/mol. Its IUPAC name is 4-(2-methylpropyl)-N-(1-piperidin-1-ylpropan-2-yl)-4,5-dihydro-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-(2-methylpropyl)-N-(1-piperidin-1-ylpropan-2-yl)-4,5-dihydro-1,3-thiazol-2-amine
PubChem CID61499906
Molecular FormulaC15H29N3S
Molecular Weight283.49 g/mol
Exact Mass283.21
IUPAC Name4-(2-methylpropyl)-N-(1-piperidin-1-ylpropan-2-yl)-4,5-dihydro-1,3-thiazol-2-amine
SMILESCC(C)CC1CSC(NC(C)CN2CCCCC2)=N1
InChIInChI=1S/C15H29N3S/c1-12(2)9-14-11-19-15(17-14)16-13(3)10-18-7-5-4-6-8-18/h12-14H,4-11H2,1-3H3,(H,16,17)
InChIKeyFQIBQBRLBSLWKF-UHFFFAOYSA-N
XLogP2.97
TPSA27.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.49
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(2-methylpropyl)-N-(1-piperidin-1-ylpropan-2-yl)-4,5-dihydro-1,3-thiazol-2-amine?
The IUPAC name of 4-(2-methylpropyl)-N-(1-piperidin-1-ylpropan-2-yl)-4,5-dihydro-1,3-thiazol-2-amine (CID 61499906) is 4-(2-methylpropyl)-N-(1-piperidin-1-ylpropan-2-yl)-4,5-dihydro-1,3-thiazol-2-amine.
What is the SMILES notation for 4-(2-methylpropyl)-N-(1-piperidin-1-ylpropan-2-yl)-4,5-dihydro-1,3-thiazol-2-amine?
The canonical SMILES for 4-(2-methylpropyl)-N-(1-piperidin-1-ylpropan-2-yl)-4,5-dihydro-1,3-thiazol-2-amine is CC(C)CC1CSC(NC(C)CN2CCCCC2)=N1.
What is the InChIKey of 4-(2-methylpropyl)-N-(1-piperidin-1-ylpropan-2-yl)-4,5-dihydro-1,3-thiazol-2-amine?
The InChIKey is FQIBQBRLBSLWKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29N3S/c1-12(2)9-14-11-19-15(17-14)16-13(3)10-18-7-5-4-6-8-18/h12-14H,4-11H2,1-3H3,(H,16,17).
What are the key properties of 4-(2-methylpropyl)-N-(1-piperidin-1-ylpropan-2-yl)-4,5-dihydro-1,3-thiazol-2-amine?
4-(2-methylpropyl)-N-(1-piperidin-1-ylpropan-2-yl)-4,5-dihydro-1,3-thiazol-2-amine has a molecular weight of 283.49 g/mol, XLogP of 2.97, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methylpropyl)-N-(1-piperidin-1-ylpropan-2-yl)-4,5-dihydro-1,3-thiazol-2-amine is sourced from PubChem (CID 61499906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).