N-(6-methylheptan-2-yl)-4-(2-methylpropyl)-4,5-dihydro-1,3-thiazol-2-amine

C15H30N2S — CID 54954476

IUPACN-(6-methylheptan-2-yl)-4-(2-methylpropyl)-4,5-dihydro-1,3-thiazol-2-amine
SMILESCC(C)CCCC(C)NC1=NC(CC(C)C)CS1
InChIInChI=1S/C15H30N2S/c1-11(2)7-6-8-13(5)16-15-17-14(10-18-15)9-12(3)4/h11-14H,6-10H2,1-5H3,(H,16,17)
InChIKeyTUJFXZZLHGLMGP-UHFFFAOYSA-N
MW270.49 g/mol
LogP4.31
Rot. Bonds7

About N-(6-methylheptan-2-yl)-4-(2-methylpropyl)-4,5-dihydro-1,3-thiazol-2-amine

N-(6-methylheptan-2-yl)-4-(2-methylpropyl)-4,5-dihydro-1,3-thiazol-2-amine (PubChem CID 54954476) has the molecular formula C15H30N2S and a molecular weight of 270.49 g/mol. Its IUPAC name is N-(6-methylheptan-2-yl)-4-(2-methylpropyl)-4,5-dihydro-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-(6-methylheptan-2-yl)-4-(2-methylpropyl)-4,5-dihydro-1,3-thiazol-2-amine
PubChem CID54954476
Molecular FormulaC15H30N2S
Molecular Weight270.49 g/mol
Exact Mass270.21
IUPAC NameN-(6-methylheptan-2-yl)-4-(2-methylpropyl)-4,5-dihydro-1,3-thiazol-2-amine
SMILESCC(C)CCCC(C)NC1=NC(CC(C)C)CS1
InChIInChI=1S/C15H30N2S/c1-11(2)7-6-8-13(5)16-15-17-14(10-18-15)9-12(3)4/h11-14H,6-10H2,1-5H3,(H,16,17)
InChIKeyTUJFXZZLHGLMGP-UHFFFAOYSA-N
XLogP4.31
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.49
LogP ≤ 54.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(6-methylheptan-2-yl)-4-(2-methylpropyl)-4,5-dihydro-1,3-thiazol-2-amine?
The IUPAC name of N-(6-methylheptan-2-yl)-4-(2-methylpropyl)-4,5-dihydro-1,3-thiazol-2-amine (CID 54954476) is N-(6-methylheptan-2-yl)-4-(2-methylpropyl)-4,5-dihydro-1,3-thiazol-2-amine.
What is the SMILES notation for N-(6-methylheptan-2-yl)-4-(2-methylpropyl)-4,5-dihydro-1,3-thiazol-2-amine?
The canonical SMILES for N-(6-methylheptan-2-yl)-4-(2-methylpropyl)-4,5-dihydro-1,3-thiazol-2-amine is CC(C)CCCC(C)NC1=NC(CC(C)C)CS1.
What is the InChIKey of N-(6-methylheptan-2-yl)-4-(2-methylpropyl)-4,5-dihydro-1,3-thiazol-2-amine?
The InChIKey is TUJFXZZLHGLMGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N2S/c1-11(2)7-6-8-13(5)16-15-17-14(10-18-15)9-12(3)4/h11-14H,6-10H2,1-5H3,(H,16,17).
What are the key properties of N-(6-methylheptan-2-yl)-4-(2-methylpropyl)-4,5-dihydro-1,3-thiazol-2-amine?
N-(6-methylheptan-2-yl)-4-(2-methylpropyl)-4,5-dihydro-1,3-thiazol-2-amine has a molecular weight of 270.49 g/mol, XLogP of 4.31, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-methylheptan-2-yl)-4-(2-methylpropyl)-4,5-dihydro-1,3-thiazol-2-amine is sourced from PubChem (CID 54954476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).