N-(dicyclopropylmethyl)-4-(2-methylpropyl)-4,5-dihydro-1,3-thiazol-2-amine

C14H24N2S — CID 54959027

IUPACN-(dicyclopropylmethyl)-4-(2-methylpropyl)-4,5-dihydro-1,3-thiazol-2-amine
SMILESCC(C)CC1CSC(NC(C2CC2)C2CC2)=N1
InChIInChI=1S/C14H24N2S/c1-9(2)7-12-8-17-14(15-12)16-13(10-3-4-10)11-5-6-11/h9-13H,3-8H2,1-2H3,(H,15,16)
InChIKeyIFXCJYBYLOMUBY-UHFFFAOYSA-N
MW252.43 g/mol
LogP3.28
Rot. Bonds5

About N-(dicyclopropylmethyl)-4-(2-methylpropyl)-4,5-dihydro-1,3-thiazol-2-amine

N-(dicyclopropylmethyl)-4-(2-methylpropyl)-4,5-dihydro-1,3-thiazol-2-amine (PubChem CID 54959027) has the molecular formula C14H24N2S and a molecular weight of 252.43 g/mol. Its IUPAC name is N-(dicyclopropylmethyl)-4-(2-methylpropyl)-4,5-dihydro-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-(dicyclopropylmethyl)-4-(2-methylpropyl)-4,5-dihydro-1,3-thiazol-2-amine
PubChem CID54959027
Molecular FormulaC14H24N2S
Molecular Weight252.43 g/mol
Exact Mass252.17
IUPAC NameN-(dicyclopropylmethyl)-4-(2-methylpropyl)-4,5-dihydro-1,3-thiazol-2-amine
SMILESCC(C)CC1CSC(NC(C2CC2)C2CC2)=N1
InChIInChI=1S/C14H24N2S/c1-9(2)7-12-8-17-14(15-12)16-13(10-3-4-10)11-5-6-11/h9-13H,3-8H2,1-2H3,(H,15,16)
InChIKeyIFXCJYBYLOMUBY-UHFFFAOYSA-N
XLogP3.28
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.43
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(dicyclopropylmethyl)-4-(2-methylpropyl)-4,5-dihydro-1,3-thiazol-2-amine?
The IUPAC name of N-(dicyclopropylmethyl)-4-(2-methylpropyl)-4,5-dihydro-1,3-thiazol-2-amine (CID 54959027) is N-(dicyclopropylmethyl)-4-(2-methylpropyl)-4,5-dihydro-1,3-thiazol-2-amine.
What is the SMILES notation for N-(dicyclopropylmethyl)-4-(2-methylpropyl)-4,5-dihydro-1,3-thiazol-2-amine?
The canonical SMILES for N-(dicyclopropylmethyl)-4-(2-methylpropyl)-4,5-dihydro-1,3-thiazol-2-amine is CC(C)CC1CSC(NC(C2CC2)C2CC2)=N1.
What is the InChIKey of N-(dicyclopropylmethyl)-4-(2-methylpropyl)-4,5-dihydro-1,3-thiazol-2-amine?
The InChIKey is IFXCJYBYLOMUBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2S/c1-9(2)7-12-8-17-14(15-12)16-13(10-3-4-10)11-5-6-11/h9-13H,3-8H2,1-2H3,(H,15,16).
What are the key properties of N-(dicyclopropylmethyl)-4-(2-methylpropyl)-4,5-dihydro-1,3-thiazol-2-amine?
N-(dicyclopropylmethyl)-4-(2-methylpropyl)-4,5-dihydro-1,3-thiazol-2-amine has a molecular weight of 252.43 g/mol, XLogP of 3.28, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(dicyclopropylmethyl)-4-(2-methylpropyl)-4,5-dihydro-1,3-thiazol-2-amine is sourced from PubChem (CID 54959027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).