N-(1,2,4-oxadiazol-3-ylmethyl)-5-propyl-4,5-dihydro-1,3-thiazol-2-amine

C9H14N4OS — CID 106406422

IUPACN-(1,2,4-oxadiazol-3-ylmethyl)-5-propyl-4,5-dihydro-1,3-thiazol-2-amine
SMILESCCCC1CN=C(NCc2ncon2)S1
InChIInChI=1S/C9H14N4OS/c1-2-3-7-4-10-9(15-7)11-5-8-12-6-14-13-8/h6-7H,2-5H2,1H3,(H,10,11)
InChIKeySMBDCJCNLMLDDQ-UHFFFAOYSA-N
MW226.30 g/mol
LogP1.43
Rot. Bonds4

About N-(1,2,4-oxadiazol-3-ylmethyl)-5-propyl-4,5-dihydro-1,3-thiazol-2-amine

N-(1,2,4-oxadiazol-3-ylmethyl)-5-propyl-4,5-dihydro-1,3-thiazol-2-amine (PubChem CID 106406422) has the molecular formula C9H14N4OS and a molecular weight of 226.30 g/mol. Its IUPAC name is N-(1,2,4-oxadiazol-3-ylmethyl)-5-propyl-4,5-dihydro-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-(1,2,4-oxadiazol-3-ylmethyl)-5-propyl-4,5-dihydro-1,3-thiazol-2-amine
PubChem CID106406422
Molecular FormulaC9H14N4OS
Molecular Weight226.30 g/mol
Exact Mass226.09
IUPAC NameN-(1,2,4-oxadiazol-3-ylmethyl)-5-propyl-4,5-dihydro-1,3-thiazol-2-amine
SMILESCCCC1CN=C(NCc2ncon2)S1
InChIInChI=1S/C9H14N4OS/c1-2-3-7-4-10-9(15-7)11-5-8-12-6-14-13-8/h6-7H,2-5H2,1H3,(H,10,11)
InChIKeySMBDCJCNLMLDDQ-UHFFFAOYSA-N
XLogP1.43
TPSA63.31 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.30
LogP ≤ 51.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(3-methyl-4-pyridinyl)methyl]-5-propyl-4,5-dihydro-1,3-thiazol-2-amine
CID 114701228
N-[(4-methyl-3-pyridinyl)methyl]-5-propyl-4,5-dihydro-1,3-thiazol-2-amine
CID 114956905
N-[2-(1,2,4-oxadiazol-3-yl)ethyl]-5-pentan-3-yl-4,5-dihydro-1,3-thiazol-2-amine
CID 106406536
5,5-diethyl-N-(1,2,4-oxadiazol-3-ylmethyl)-4,6-dihydro-1,3-thiazin-2-amine
CID 106406406
N-(2-ethoxy-2-methylpropyl)-5-propyl-4,5-dihydro-1,3-thiazol-2-amine
CID 114943294
N-[[1-(dimethylamino)cyclobutyl]methyl]-5-propyl-4,5-dihydro-1,3-thiazol-2-amine
CID 105419351
N-(1,2,4-oxadiazol-3-ylmethyl)-2-propyloxan-4-amine
CID 106394026
N-[1-(4-chlorophenyl)ethyl]-5-propyl-4,5-dihydro-1,3-thiazol-2-amine
CID 113496008
6-ethyl-N-(1,2,4-oxadiazol-3-ylmethyl)pyrimidin-4-amine
CID 106403520
5-propyl-N-(1-pyridin-3-ylethyl)-4,5-dihydro-1,3-thiazol-2-amine
CID 113495972
4-N-ethyl-2-N-(1,2,4-oxadiazol-3-ylmethyl)-6-pyrrolidin-1-yl-1,3,5-triazine-2,4-diamine
CID 106411797
1-(1-methylpiperidin-4-yl)-N-(1,2,4-oxadiazol-3-ylmethyl)ethanamine
CID 106393094

Frequently Asked Questions

What is the IUPAC name of N-(1,2,4-oxadiazol-3-ylmethyl)-5-propyl-4,5-dihydro-1,3-thiazol-2-amine?
The IUPAC name of N-(1,2,4-oxadiazol-3-ylmethyl)-5-propyl-4,5-dihydro-1,3-thiazol-2-amine (CID 106406422) is N-(1,2,4-oxadiazol-3-ylmethyl)-5-propyl-4,5-dihydro-1,3-thiazol-2-amine.
What is the SMILES notation for N-(1,2,4-oxadiazol-3-ylmethyl)-5-propyl-4,5-dihydro-1,3-thiazol-2-amine?
The canonical SMILES for N-(1,2,4-oxadiazol-3-ylmethyl)-5-propyl-4,5-dihydro-1,3-thiazol-2-amine is CCCC1CN=C(NCc2ncon2)S1.
What is the InChIKey of N-(1,2,4-oxadiazol-3-ylmethyl)-5-propyl-4,5-dihydro-1,3-thiazol-2-amine?
The InChIKey is SMBDCJCNLMLDDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N4OS/c1-2-3-7-4-10-9(15-7)11-5-8-12-6-14-13-8/h6-7H,2-5H2,1H3,(H,10,11).
What are the key properties of N-(1,2,4-oxadiazol-3-ylmethyl)-5-propyl-4,5-dihydro-1,3-thiazol-2-amine?
N-(1,2,4-oxadiazol-3-ylmethyl)-5-propyl-4,5-dihydro-1,3-thiazol-2-amine has a molecular weight of 226.30 g/mol, XLogP of 1.43, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,2,4-oxadiazol-3-ylmethyl)-5-propyl-4,5-dihydro-1,3-thiazol-2-amine is sourced from PubChem (CID 106406422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).