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

C12H18N4S2 — CID 106260383

IUPAC5-(2-methylpropyl)-N-[1-(4-methyl-1,3-thiazol-5-yl)ethyl]-1,3,4-thiadiazol-2-amine
SMILESCc1ncsc1C(C)Nc1nnc(CC(C)C)s1
InChIInChI=1S/C12H18N4S2/c1-7(2)5-10-15-16-12(18-10)14-9(4)11-8(3)13-6-17-11/h6-7,9H,5H2,1-4H3,(H,14,16)
InChIKeyZNISIGDWUFVNFJ-UHFFFAOYSA-N
MW282.44 g/mol
LogP3.67
Rot. Bonds5

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

5-(2-methylpropyl)-N-[1-(4-methyl-1,3-thiazol-5-yl)ethyl]-1,3,4-thiadiazol-2-amine (PubChem CID 106260383) has the molecular formula C12H18N4S2 and a molecular weight of 282.44 g/mol. Its IUPAC name is 5-(2-methylpropyl)-N-[1-(4-methyl-1,3-thiazol-5-yl)ethyl]-1,3,4-thiadiazol-2-amine.

Molecular Properties

Compound Name5-(2-methylpropyl)-N-[1-(4-methyl-1,3-thiazol-5-yl)ethyl]-1,3,4-thiadiazol-2-amine
PubChem CID106260383
Molecular FormulaC12H18N4S2
Molecular Weight282.44 g/mol
Exact Mass282.10
IUPAC Name5-(2-methylpropyl)-N-[1-(4-methyl-1,3-thiazol-5-yl)ethyl]-1,3,4-thiadiazol-2-amine
SMILESCc1ncsc1C(C)Nc1nnc(CC(C)C)s1
InChIInChI=1S/C12H18N4S2/c1-7(2)5-10-15-16-12(18-10)14-9(4)11-8(3)13-6-17-11/h6-7,9H,5H2,1-4H3,(H,14,16)
InChIKeyZNISIGDWUFVNFJ-UHFFFAOYSA-N
XLogP3.67
TPSA50.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.44
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[1-(2,4-dimethylphenyl)ethyl]-5-(2-methylpropyl)-1,3,4-thiadiazol-2-amine
CID 106260814
5-(2-methylpropyl)-N-(1-pyridin-2-ylethyl)-1,3,4-thiadiazol-2-amine
CID 106260917
N-[1-(4-chlorophenyl)ethyl]-5-(2-methylpropyl)-1,3,4-thiadiazol-2-amine
CID 106260466
N-[1-(5-chlorothiophen-2-yl)ethyl]-5-(2-methylpropyl)-1,3,4-thiadiazol-2-amine
CID 106260130
N-[1-(3-fluoro-4-methylphenyl)ethyl]-5-(2-methylpropyl)-1,3,4-thiadiazol-2-amine
CID 106260425
N-[1-(4-methyl-1,3-thiazol-5-yl)ethyl]aniline
CID 43756143
N-[1-(4-bromophenyl)propan-2-yl]-5-(2-methylpropyl)-1,3,4-thiadiazol-2-amine
CID 106260894
2,4-dimethyl-N-[1-(4-methyl-1,3-thiazol-5-yl)ethyl]aniline
CID 43755779
N-[1-(1-benzofuran-2-yl)ethyl]-5-(2-methylpropyl)-1,3,4-thiadiazol-2-amine
CID 106260962
4-chloro-N-[1-(4-methyl-1,3-thiazol-5-yl)ethyl]aniline
CID 43762336
2,6-dibromo-N-[1-(4-methyl-1,3-thiazol-5-yl)ethyl]aniline
CID 107597040
N-(3-methoxy-3-methylbutan-2-yl)-5-(2-methylpropyl)-1,3,4-thiadiazol-2-amine
CID 114228294

Frequently Asked Questions

What is the IUPAC name of 5-(2-methylpropyl)-N-[1-(4-methyl-1,3-thiazol-5-yl)ethyl]-1,3,4-thiadiazol-2-amine?
The IUPAC name of 5-(2-methylpropyl)-N-[1-(4-methyl-1,3-thiazol-5-yl)ethyl]-1,3,4-thiadiazol-2-amine (CID 106260383) is 5-(2-methylpropyl)-N-[1-(4-methyl-1,3-thiazol-5-yl)ethyl]-1,3,4-thiadiazol-2-amine.
What is the SMILES notation for 5-(2-methylpropyl)-N-[1-(4-methyl-1,3-thiazol-5-yl)ethyl]-1,3,4-thiadiazol-2-amine?
The canonical SMILES for 5-(2-methylpropyl)-N-[1-(4-methyl-1,3-thiazol-5-yl)ethyl]-1,3,4-thiadiazol-2-amine is Cc1ncsc1C(C)Nc1nnc(CC(C)C)s1.
What is the InChIKey of 5-(2-methylpropyl)-N-[1-(4-methyl-1,3-thiazol-5-yl)ethyl]-1,3,4-thiadiazol-2-amine?
The InChIKey is ZNISIGDWUFVNFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4S2/c1-7(2)5-10-15-16-12(18-10)14-9(4)11-8(3)13-6-17-11/h6-7,9H,5H2,1-4H3,(H,14,16).
What are the key properties of 5-(2-methylpropyl)-N-[1-(4-methyl-1,3-thiazol-5-yl)ethyl]-1,3,4-thiadiazol-2-amine?
5-(2-methylpropyl)-N-[1-(4-methyl-1,3-thiazol-5-yl)ethyl]-1,3,4-thiadiazol-2-amine has a molecular weight of 282.44 g/mol, XLogP of 3.67, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-methylpropyl)-N-[1-(4-methyl-1,3-thiazol-5-yl)ethyl]-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 106260383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).