N-(4-methoxybutan-2-yl)-4-methyl-4,5-dihydro-1,3-thiazol-2-amine

C9H18N2OS — CID 64605708

IUPACN-(4-methoxybutan-2-yl)-4-methyl-4,5-dihydro-1,3-thiazol-2-amine
SMILESCOCCC(C)NC1=NC(C)CS1
InChIInChI=1S/C9H18N2OS/c1-7(4-5-12-3)10-9-11-8(2)6-13-9/h7-8H,4-6H2,1-3H3,(H,10,11)
InChIKeyRIUFKDYDIUVGMX-UHFFFAOYSA-N
MW202.32 g/mol
LogP1.49
Rot. Bonds4

About N-(4-methoxybutan-2-yl)-4-methyl-4,5-dihydro-1,3-thiazol-2-amine

N-(4-methoxybutan-2-yl)-4-methyl-4,5-dihydro-1,3-thiazol-2-amine (PubChem CID 64605708) has the molecular formula C9H18N2OS and a molecular weight of 202.32 g/mol. Its IUPAC name is N-(4-methoxybutan-2-yl)-4-methyl-4,5-dihydro-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-(4-methoxybutan-2-yl)-4-methyl-4,5-dihydro-1,3-thiazol-2-amine
PubChem CID64605708
Molecular FormulaC9H18N2OS
Molecular Weight202.32 g/mol
Exact Mass202.11
IUPAC NameN-(4-methoxybutan-2-yl)-4-methyl-4,5-dihydro-1,3-thiazol-2-amine
SMILESCOCCC(C)NC1=NC(C)CS1
InChIInChI=1S/C9H18N2OS/c1-7(4-5-12-3)10-9-11-8(2)6-13-9/h7-8H,4-6H2,1-3H3,(H,10,11)
InChIKeyRIUFKDYDIUVGMX-UHFFFAOYSA-N
XLogP1.49
TPSA33.62 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.32
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(4-methoxybutan-2-yl)-4-methyl-4,5-dihydro-1,3-thiazol-2-amine?
The IUPAC name of N-(4-methoxybutan-2-yl)-4-methyl-4,5-dihydro-1,3-thiazol-2-amine (CID 64605708) is N-(4-methoxybutan-2-yl)-4-methyl-4,5-dihydro-1,3-thiazol-2-amine.
What is the SMILES notation for N-(4-methoxybutan-2-yl)-4-methyl-4,5-dihydro-1,3-thiazol-2-amine?
The canonical SMILES for N-(4-methoxybutan-2-yl)-4-methyl-4,5-dihydro-1,3-thiazol-2-amine is COCCC(C)NC1=NC(C)CS1.
What is the InChIKey of N-(4-methoxybutan-2-yl)-4-methyl-4,5-dihydro-1,3-thiazol-2-amine?
The InChIKey is RIUFKDYDIUVGMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2OS/c1-7(4-5-12-3)10-9-11-8(2)6-13-9/h7-8H,4-6H2,1-3H3,(H,10,11).
What are the key properties of N-(4-methoxybutan-2-yl)-4-methyl-4,5-dihydro-1,3-thiazol-2-amine?
N-(4-methoxybutan-2-yl)-4-methyl-4,5-dihydro-1,3-thiazol-2-amine has a molecular weight of 202.32 g/mol, XLogP of 1.49, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methoxybutan-2-yl)-4-methyl-4,5-dihydro-1,3-thiazol-2-amine is sourced from PubChem (CID 64605708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).