N-[(5-methyl-1,2-oxazol-3-yl)methyl]-5-(2-methylpropyl)-4,5-dihydro-1,3-thiazol-2-amine

C12H19N3OS — CID 107154208

IUPACN-[(5-methyl-1,2-oxazol-3-yl)methyl]-5-(2-methylpropyl)-4,5-dihydro-1,3-thiazol-2-amine
SMILESCc1cc(CNC2=NCC(CC(C)C)S2)no1
InChIInChI=1S/C12H19N3OS/c1-8(2)4-11-7-14-12(17-11)13-6-10-5-9(3)16-15-10/h5,8,11H,4,6-7H2,1-3H3,(H,13,14)
InChIKeyHKPNBCDBYGXBGC-UHFFFAOYSA-N
MW253.37 g/mol
LogP2.59
Rot. Bonds4

About N-[(5-methyl-1,2-oxazol-3-yl)methyl]-5-(2-methylpropyl)-4,5-dihydro-1,3-thiazol-2-amine

N-[(5-methyl-1,2-oxazol-3-yl)methyl]-5-(2-methylpropyl)-4,5-dihydro-1,3-thiazol-2-amine (PubChem CID 107154208) has the molecular formula C12H19N3OS and a molecular weight of 253.37 g/mol. Its IUPAC name is N-[(5-methyl-1,2-oxazol-3-yl)methyl]-5-(2-methylpropyl)-4,5-dihydro-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-[(5-methyl-1,2-oxazol-3-yl)methyl]-5-(2-methylpropyl)-4,5-dihydro-1,3-thiazol-2-amine
PubChem CID107154208
Molecular FormulaC12H19N3OS
Molecular Weight253.37 g/mol
Exact Mass253.12
IUPAC NameN-[(5-methyl-1,2-oxazol-3-yl)methyl]-5-(2-methylpropyl)-4,5-dihydro-1,3-thiazol-2-amine
SMILESCc1cc(CNC2=NCC(CC(C)C)S2)no1
InChIInChI=1S/C12H19N3OS/c1-8(2)4-11-7-14-12(17-11)13-6-10-5-9(3)16-15-10/h5,8,11H,4,6-7H2,1-3H3,(H,13,14)
InChIKeyHKPNBCDBYGXBGC-UHFFFAOYSA-N
XLogP2.59
TPSA50.42 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.37
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(5-methyl-1,2-oxazol-3-yl)methyl]-5-(2-methylpropyl)-4,5-dihydro-1,3-thiazol-2-amine?
The IUPAC name of N-[(5-methyl-1,2-oxazol-3-yl)methyl]-5-(2-methylpropyl)-4,5-dihydro-1,3-thiazol-2-amine (CID 107154208) is N-[(5-methyl-1,2-oxazol-3-yl)methyl]-5-(2-methylpropyl)-4,5-dihydro-1,3-thiazol-2-amine.
What is the SMILES notation for N-[(5-methyl-1,2-oxazol-3-yl)methyl]-5-(2-methylpropyl)-4,5-dihydro-1,3-thiazol-2-amine?
The canonical SMILES for N-[(5-methyl-1,2-oxazol-3-yl)methyl]-5-(2-methylpropyl)-4,5-dihydro-1,3-thiazol-2-amine is Cc1cc(CNC2=NCC(CC(C)C)S2)no1.
What is the InChIKey of N-[(5-methyl-1,2-oxazol-3-yl)methyl]-5-(2-methylpropyl)-4,5-dihydro-1,3-thiazol-2-amine?
The InChIKey is HKPNBCDBYGXBGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3OS/c1-8(2)4-11-7-14-12(17-11)13-6-10-5-9(3)16-15-10/h5,8,11H,4,6-7H2,1-3H3,(H,13,14).
What are the key properties of N-[(5-methyl-1,2-oxazol-3-yl)methyl]-5-(2-methylpropyl)-4,5-dihydro-1,3-thiazol-2-amine?
N-[(5-methyl-1,2-oxazol-3-yl)methyl]-5-(2-methylpropyl)-4,5-dihydro-1,3-thiazol-2-amine has a molecular weight of 253.37 g/mol, XLogP of 2.59, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-methyl-1,2-oxazol-3-yl)methyl]-5-(2-methylpropyl)-4,5-dihydro-1,3-thiazol-2-amine is sourced from PubChem (CID 107154208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).