N-butan-2-yl-5-[2-(2-methoxyethyl)-1,3-thiazol-5-yl]-1,3,4-thiadiazol-2-amine

C12H18N4OS2 — CID 82422355

IUPACN-butan-2-yl-5-[2-(2-methoxyethyl)-1,3-thiazol-5-yl]-1,3,4-thiadiazol-2-amine
SMILESCCC(C)Nc1nnc(-c2cnc(CCOC)s2)s1
InChIInChI=1S/C12H18N4OS2/c1-4-8(2)14-12-16-15-11(19-12)9-7-13-10(18-9)5-6-17-3/h7-8H,4-6H2,1-3H3,(H,14,16)
InChIKeyRCFHCEVERIHCMW-UHFFFAOYSA-N
MW298.44 g/mol
LogP3.06
Rot. Bonds7

About N-butan-2-yl-5-[2-(2-methoxyethyl)-1,3-thiazol-5-yl]-1,3,4-thiadiazol-2-amine

N-butan-2-yl-5-[2-(2-methoxyethyl)-1,3-thiazol-5-yl]-1,3,4-thiadiazol-2-amine (PubChem CID 82422355) has the molecular formula C12H18N4OS2 and a molecular weight of 298.44 g/mol. Its IUPAC name is N-butan-2-yl-5-[2-(2-methoxyethyl)-1,3-thiazol-5-yl]-1,3,4-thiadiazol-2-amine.

Molecular Properties

Compound NameN-butan-2-yl-5-[2-(2-methoxyethyl)-1,3-thiazol-5-yl]-1,3,4-thiadiazol-2-amine
PubChem CID82422355
Molecular FormulaC12H18N4OS2
Molecular Weight298.44 g/mol
Exact Mass298.09
IUPAC NameN-butan-2-yl-5-[2-(2-methoxyethyl)-1,3-thiazol-5-yl]-1,3,4-thiadiazol-2-amine
SMILESCCC(C)Nc1nnc(-c2cnc(CCOC)s2)s1
InChIInChI=1S/C12H18N4OS2/c1-4-8(2)14-12-16-15-11(19-12)9-7-13-10(18-9)5-6-17-3/h7-8H,4-6H2,1-3H3,(H,14,16)
InChIKeyRCFHCEVERIHCMW-UHFFFAOYSA-N
XLogP3.06
TPSA59.93 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.44
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze N-butan-2-yl-5-[2-(2-methoxyethyl)-1,3-thiazol-5-yl]-1,3,4-thiadiazol-2-amine with MolForge

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Related Compounds

N-butan-2-yl-5-(2-propyl-1,3-thiazol-5-yl)-1,3,4-thiadiazol-2-amine
CID 82422488
N-(2-methoxyethyl)-5-(2-propyl-1,3-thiazol-5-yl)-1,3,4-thiadiazol-2-amine
CID 82422489
N-(2-methylpropyl)-5-(2-propyl-1,3-thiazol-5-yl)-1,3,4-thiadiazol-2-amine
CID 82422487
5-[2-(methoxymethyl)-1,3-thiazol-5-yl]-N-propyl-1,3,4-thiadiazol-2-amine
CID 82424575
5-bromo-N-butan-2-yl-1,3,4-thiadiazol-2-amine
CID 64623041
5-ethyl-N-(1-methoxypropan-2-yl)-1,3,4-thiadiazol-2-amine
CID 107647778
N-butan-2-yl-4-[2-[2-(dimethylamino)ethyl]-1,3-thiazol-5-yl]-1,3-thiazol-2-amine
CID 82424904
4-[2-(2-methoxyethyl)-1,3-thiazol-5-yl]-N-(2-methylpropyl)-1,3-thiazol-2-amine
CID 82422365
N-butan-2-yl-5-(2-ethyl-4-propyl-1,3-thiazol-5-yl)-1,3,4-thiadiazol-2-amine
CID 82431304
N-butan-2-yl-4-[2-(2-methylpropyl)-1,3-thiazol-5-yl]-1,3-thiazol-2-amine
CID 82423578
N-butan-2-yl-5-[2-(dimethylamino)-4-methyl-1,3-thiazol-5-yl]-1,3,4-thiadiazol-2-amine
CID 82427815
5-[2-(ethylsulfanylmethyl)-1,3-thiazol-5-yl]-N-propyl-1,3,4-thiadiazol-2-amine
CID 82423311

Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-5-[2-(2-methoxyethyl)-1,3-thiazol-5-yl]-1,3,4-thiadiazol-2-amine?
The IUPAC name of N-butan-2-yl-5-[2-(2-methoxyethyl)-1,3-thiazol-5-yl]-1,3,4-thiadiazol-2-amine (CID 82422355) is N-butan-2-yl-5-[2-(2-methoxyethyl)-1,3-thiazol-5-yl]-1,3,4-thiadiazol-2-amine.
What is the SMILES notation for N-butan-2-yl-5-[2-(2-methoxyethyl)-1,3-thiazol-5-yl]-1,3,4-thiadiazol-2-amine?
The canonical SMILES for N-butan-2-yl-5-[2-(2-methoxyethyl)-1,3-thiazol-5-yl]-1,3,4-thiadiazol-2-amine is CCC(C)Nc1nnc(-c2cnc(CCOC)s2)s1.
What is the InChIKey of N-butan-2-yl-5-[2-(2-methoxyethyl)-1,3-thiazol-5-yl]-1,3,4-thiadiazol-2-amine?
The InChIKey is RCFHCEVERIHCMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4OS2/c1-4-8(2)14-12-16-15-11(19-12)9-7-13-10(18-9)5-6-17-3/h7-8H,4-6H2,1-3H3,(H,14,16).
What are the key properties of N-butan-2-yl-5-[2-(2-methoxyethyl)-1,3-thiazol-5-yl]-1,3,4-thiadiazol-2-amine?
N-butan-2-yl-5-[2-(2-methoxyethyl)-1,3-thiazol-5-yl]-1,3,4-thiadiazol-2-amine has a molecular weight of 298.44 g/mol, XLogP of 3.06, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-butan-2-yl-5-[2-(2-methoxyethyl)-1,3-thiazol-5-yl]-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 82422355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).