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

C10H14N4S2 — CID 75517126

IUPACN-[[2-(2-methylpropyl)-1,3-thiazol-5-yl]methyl]-1,3,4-thiadiazol-2-amine
SMILESCC(C)Cc1ncc(CNc2nncs2)s1
InChIInChI=1S/C10H14N4S2/c1-7(2)3-9-11-4-8(16-9)5-12-10-14-13-6-15-10/h4,6-7H,3,5H2,1-2H3,(H,12,14)
InChIKeyXODVIPFWPVFPQX-UHFFFAOYSA-N
MW254.38 g/mol
LogP2.81
Rot. Bonds5

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

N-[[2-(2-methylpropyl)-1,3-thiazol-5-yl]methyl]-1,3,4-thiadiazol-2-amine (PubChem CID 75517126) has the molecular formula C10H14N4S2 and a molecular weight of 254.38 g/mol. Its IUPAC name is N-[[2-(2-methylpropyl)-1,3-thiazol-5-yl]methyl]-1,3,4-thiadiazol-2-amine.

Molecular Properties

Compound NameN-[[2-(2-methylpropyl)-1,3-thiazol-5-yl]methyl]-1,3,4-thiadiazol-2-amine
PubChem CID75517126
Molecular FormulaC10H14N4S2
Molecular Weight254.38 g/mol
Exact Mass254.07
IUPAC NameN-[[2-(2-methylpropyl)-1,3-thiazol-5-yl]methyl]-1,3,4-thiadiazol-2-amine
SMILESCC(C)Cc1ncc(CNc2nncs2)s1
InChIInChI=1S/C10H14N4S2/c1-7(2)3-9-11-4-8(16-9)5-12-10-14-13-6-15-10/h4,6-7H,3,5H2,1-2H3,(H,12,14)
InChIKeyXODVIPFWPVFPQX-UHFFFAOYSA-N
XLogP2.81
TPSA50.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.38
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

5-ethyl-N-[(2-ethyl-1,3-thiazol-5-yl)methyl]-1,3,4-thiadiazol-2-amine
CID 115924677
N-[(2-methyl-1H-imidazol-5-yl)methyl]-1,3,4-thiadiazol-2-amine
CID 103933856
2-(3,3-dimethylbutyl)-5-(2-methylpropyl)-1,3-thiazole
CID 170239107
2-(2-methylpropyl)-5-(piperazin-1-ylmethyl)-1,3-thiazole
CID 82191059
3-(2-methylpropyl)-N-[(5-methyl-1,3-thiazol-2-yl)methyl]-1,2,4-thiadiazol-5-amine
CID 133484381
N-[[2-(2-methylpropyl)-1,3-thiazol-5-yl]methyl]-2-(4-methyl-2-sulfanylidene-3H-1,3-thiazol-5-yl)acetamide
CID 99579758
N-(pyrimidin-5-ylmethyl)-1,3,4-thiadiazol-2-amine
CID 82669856
5-methyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]-1,3,4-thiadiazol-2-amine
CID 65209607
6-[[[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]amino]methyl]pyridin-3-ol
CID 106260766
N-[(4-bromo-5-chlorothiophen-2-yl)methyl]-5-(2-methylpropyl)-1,3,4-thiadiazol-2-amine
CID 114165421
N-butan-2-yl-4-[2-(2-methylpropyl)-1,3-thiazol-5-yl]-1,3-thiazol-2-amine
CID 82423578
(2S,3S)-2-(1-methylimidazol-2-yl)-N-[[2-(2-methylpropyl)-1,3-thiazol-5-yl]methyl]oxan-3-amine
CID 128973094

Frequently Asked Questions

What is the IUPAC name of N-[[2-(2-methylpropyl)-1,3-thiazol-5-yl]methyl]-1,3,4-thiadiazol-2-amine?
The IUPAC name of N-[[2-(2-methylpropyl)-1,3-thiazol-5-yl]methyl]-1,3,4-thiadiazol-2-amine (CID 75517126) is N-[[2-(2-methylpropyl)-1,3-thiazol-5-yl]methyl]-1,3,4-thiadiazol-2-amine.
What is the SMILES notation for N-[[2-(2-methylpropyl)-1,3-thiazol-5-yl]methyl]-1,3,4-thiadiazol-2-amine?
The canonical SMILES for N-[[2-(2-methylpropyl)-1,3-thiazol-5-yl]methyl]-1,3,4-thiadiazol-2-amine is CC(C)Cc1ncc(CNc2nncs2)s1.
What is the InChIKey of N-[[2-(2-methylpropyl)-1,3-thiazol-5-yl]methyl]-1,3,4-thiadiazol-2-amine?
The InChIKey is XODVIPFWPVFPQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N4S2/c1-7(2)3-9-11-4-8(16-9)5-12-10-14-13-6-15-10/h4,6-7H,3,5H2,1-2H3,(H,12,14).
What are the key properties of N-[[2-(2-methylpropyl)-1,3-thiazol-5-yl]methyl]-1,3,4-thiadiazol-2-amine?
N-[[2-(2-methylpropyl)-1,3-thiazol-5-yl]methyl]-1,3,4-thiadiazol-2-amine has a molecular weight of 254.38 g/mol, XLogP of 2.81, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(2-methylpropyl)-1,3-thiazol-5-yl]methyl]-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 75517126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).