3-(1-methylimidazol-2-yl)-1-(thiadiazol-4-yl)propan-1-amine

C9H13N5S — CID 105187627

IUPAC3-(1-methylimidazol-2-yl)-1-(thiadiazol-4-yl)propan-1-amine
SMILESCn1ccnc1CCC(N)c1csnn1
InChIInChI=1S/C9H13N5S/c1-14-5-4-11-9(14)3-2-7(10)8-6-15-13-12-8/h4-7H,2-3,10H2,1H3
InChIKeyFFQZYKAPBFUCRH-UHFFFAOYSA-N
MW223.31 g/mol
LogP0.90
Rot. Bonds4

About 3-(1-methylimidazol-2-yl)-1-(thiadiazol-4-yl)propan-1-amine

3-(1-methylimidazol-2-yl)-1-(thiadiazol-4-yl)propan-1-amine (PubChem CID 105187627) has the molecular formula C9H13N5S and a molecular weight of 223.31 g/mol. Its IUPAC name is 3-(1-methylimidazol-2-yl)-1-(thiadiazol-4-yl)propan-1-amine.

Molecular Properties

Compound Name3-(1-methylimidazol-2-yl)-1-(thiadiazol-4-yl)propan-1-amine
PubChem CID105187627
Molecular FormulaC9H13N5S
Molecular Weight223.31 g/mol
Exact Mass223.09
IUPAC Name3-(1-methylimidazol-2-yl)-1-(thiadiazol-4-yl)propan-1-amine
SMILESCn1ccnc1CCC(N)c1csnn1
InChIInChI=1S/C9H13N5S/c1-14-5-4-11-9(14)3-2-7(10)8-6-15-13-12-8/h4-7H,2-3,10H2,1H3
InChIKeyFFQZYKAPBFUCRH-UHFFFAOYSA-N
XLogP0.90
TPSA69.62 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.31
LogP ≤ 50.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-(1-methylimidazol-2-yl)-1-phenylpropan-1-amine
CID 64503955
3-(1-methylpyrazol-4-yl)-1-(thiadiazol-4-yl)propan-1-amine
CID 103030073
3-(1-methylimidazol-2-yl)-1-(4-methyl-1,3-thiazol-5-yl)propan-1-amine
CID 105187648
1-(3-chloro-4-methylthiophen-2-yl)-3-(1-methylimidazol-2-yl)propan-1-amine
CID 103407559
1-(4-chlorophenyl)-3-(1-methylimidazol-2-yl)propan-1-amine
CID 114529915
1-(4-ethylsulfanylphenyl)-3-(1-methylimidazol-2-yl)propan-1-amine
CID 106848552
1-methyl-2-(3-methylbutyl)imidazole
CID 68983412
1,1-difluoro-4-(1-methylimidazol-2-yl)butan-2-amine
CID 103517203
1-(3-ethyl-6-methylpyridazin-4-yl)-3-(1-methylimidazol-2-yl)propan-1-amine
CID 105187716
1-(3-methoxy-4-pyridinyl)-3-(1-methylimidazol-2-yl)propan-1-amine
CID 105066124
2-fluoro-4-(1-methylimidazol-2-yl)butan-1-amine
CID 114533122
1-cyclopentyl-3-(1-methylimidazol-2-yl)propan-1-amine
CID 114530015

Frequently Asked Questions

What is the IUPAC name of 3-(1-methylimidazol-2-yl)-1-(thiadiazol-4-yl)propan-1-amine?
The IUPAC name of 3-(1-methylimidazol-2-yl)-1-(thiadiazol-4-yl)propan-1-amine (CID 105187627) is 3-(1-methylimidazol-2-yl)-1-(thiadiazol-4-yl)propan-1-amine.
What is the SMILES notation for 3-(1-methylimidazol-2-yl)-1-(thiadiazol-4-yl)propan-1-amine?
The canonical SMILES for 3-(1-methylimidazol-2-yl)-1-(thiadiazol-4-yl)propan-1-amine is Cn1ccnc1CCC(N)c1csnn1.
What is the InChIKey of 3-(1-methylimidazol-2-yl)-1-(thiadiazol-4-yl)propan-1-amine?
The InChIKey is FFQZYKAPBFUCRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N5S/c1-14-5-4-11-9(14)3-2-7(10)8-6-15-13-12-8/h4-7H,2-3,10H2,1H3.
What are the key properties of 3-(1-methylimidazol-2-yl)-1-(thiadiazol-4-yl)propan-1-amine?
3-(1-methylimidazol-2-yl)-1-(thiadiazol-4-yl)propan-1-amine has a molecular weight of 223.31 g/mol, XLogP of 0.90, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-methylimidazol-2-yl)-1-(thiadiazol-4-yl)propan-1-amine is sourced from PubChem (CID 105187627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).