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

C12H22N2S — CID 61250694

IUPACN-(1-cyclopropylethyl)-4-(2-methylpropyl)-4,5-dihydro-1,3-thiazol-2-amine
SMILESCC(C)CC1CSC(NC(C)C2CC2)=N1
InChIInChI=1S/C12H22N2S/c1-8(2)6-11-7-15-12(14-11)13-9(3)10-4-5-10/h8-11H,4-7H2,1-3H3,(H,13,14)
InChIKeyNLRYIFVFSMAGJN-UHFFFAOYSA-N
MW226.39 g/mol
LogP2.89
Rot. Bonds4

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

N-(1-cyclopropylethyl)-4-(2-methylpropyl)-4,5-dihydro-1,3-thiazol-2-amine (PubChem CID 61250694) has the molecular formula C12H22N2S and a molecular weight of 226.39 g/mol. Its IUPAC name is N-(1-cyclopropylethyl)-4-(2-methylpropyl)-4,5-dihydro-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-(1-cyclopropylethyl)-4-(2-methylpropyl)-4,5-dihydro-1,3-thiazol-2-amine
PubChem CID61250694
Molecular FormulaC12H22N2S
Molecular Weight226.39 g/mol
Exact Mass226.15
IUPAC NameN-(1-cyclopropylethyl)-4-(2-methylpropyl)-4,5-dihydro-1,3-thiazol-2-amine
SMILESCC(C)CC1CSC(NC(C)C2CC2)=N1
InChIInChI=1S/C12H22N2S/c1-8(2)6-11-7-15-12(14-11)13-9(3)10-4-5-10/h8-11H,4-7H2,1-3H3,(H,13,14)
InChIKeyNLRYIFVFSMAGJN-UHFFFAOYSA-N
XLogP2.89
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.39
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(1-cyclopropylethyl)-4-(2-methylpropyl)-4,5-dihydro-1,3-thiazol-2-amine?
The IUPAC name of N-(1-cyclopropylethyl)-4-(2-methylpropyl)-4,5-dihydro-1,3-thiazol-2-amine (CID 61250694) is N-(1-cyclopropylethyl)-4-(2-methylpropyl)-4,5-dihydro-1,3-thiazol-2-amine.
What is the SMILES notation for N-(1-cyclopropylethyl)-4-(2-methylpropyl)-4,5-dihydro-1,3-thiazol-2-amine?
The canonical SMILES for N-(1-cyclopropylethyl)-4-(2-methylpropyl)-4,5-dihydro-1,3-thiazol-2-amine is CC(C)CC1CSC(NC(C)C2CC2)=N1.
What is the InChIKey of N-(1-cyclopropylethyl)-4-(2-methylpropyl)-4,5-dihydro-1,3-thiazol-2-amine?
The InChIKey is NLRYIFVFSMAGJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2S/c1-8(2)6-11-7-15-12(14-11)13-9(3)10-4-5-10/h8-11H,4-7H2,1-3H3,(H,13,14).
What are the key properties of N-(1-cyclopropylethyl)-4-(2-methylpropyl)-4,5-dihydro-1,3-thiazol-2-amine?
N-(1-cyclopropylethyl)-4-(2-methylpropyl)-4,5-dihydro-1,3-thiazol-2-amine has a molecular weight of 226.39 g/mol, XLogP of 2.89, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-cyclopropylethyl)-4-(2-methylpropyl)-4,5-dihydro-1,3-thiazol-2-amine is sourced from PubChem (CID 61250694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).