3-(1-methylpyrazol-4-yl)-1-(thiadiazol-4-yl)propan-1-amine

C9H13N5S — CID 103030073

IUPAC3-(1-methylpyrazol-4-yl)-1-(thiadiazol-4-yl)propan-1-amine
SMILESCn1cc(CCC(N)c2csnn2)cn1
InChIInChI=1S/C9H13N5S/c1-14-5-7(4-11-14)2-3-8(10)9-6-15-13-12-9/h4-6,8H,2-3,10H2,1H3
InChIKeyNIXBDPJXOSDPHN-UHFFFAOYSA-N
MW223.31 g/mol
LogP0.90
Rot. Bonds4

About 3-(1-methylpyrazol-4-yl)-1-(thiadiazol-4-yl)propan-1-amine

3-(1-methylpyrazol-4-yl)-1-(thiadiazol-4-yl)propan-1-amine (PubChem CID 103030073) has the molecular formula C9H13N5S and a molecular weight of 223.31 g/mol. Its IUPAC name is 3-(1-methylpyrazol-4-yl)-1-(thiadiazol-4-yl)propan-1-amine.

Molecular Properties

Compound Name3-(1-methylpyrazol-4-yl)-1-(thiadiazol-4-yl)propan-1-amine
PubChem CID103030073
Molecular FormulaC9H13N5S
Molecular Weight223.31 g/mol
Exact Mass223.09
IUPAC Name3-(1-methylpyrazol-4-yl)-1-(thiadiazol-4-yl)propan-1-amine
SMILESCn1cc(CCC(N)c2csnn2)cn1
InChIInChI=1S/C9H13N5S/c1-14-5-7(4-11-14)2-3-8(10)9-6-15-13-12-9/h4-6,8H,2-3,10H2,1H3
InChIKeyNIXBDPJXOSDPHN-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-methylpyrazol-4-yl)-1-(4-methylthiadiazol-5-yl)propan-1-amine
CID 103029778
3-(1-methylpyrazol-4-yl)-1-(1,3-thiazol-5-yl)propan-1-amine
CID 103011577
3-(1-methylpyrazol-4-yl)-1-(2-phenyltriazol-4-yl)propan-1-amine
CID 103030204
1-(5-ethylthiophen-2-yl)-3-(1-methylpyrazol-4-yl)propan-1-amine
CID 103029878
1-(1H-imidazol-2-yl)-3-(1-methylpyrazol-4-yl)propan-1-amine
CID 103011534
3-(1-methylpyrazol-4-yl)-1-(4-methylsulfanylphenyl)propan-1-amine
CID 103030188
1-(4-methoxyphenyl)-3-(1-methylpyrazol-4-yl)propan-1-amine
CID 103008702
1-(2-bromophenyl)-3-(1-methylpyrazol-4-yl)propan-1-amine
CID 103009628
1-(2,5-dimethylphenyl)-3-(1-methylpyrazol-4-yl)propan-1-amine
CID 103030043
1-(1-benzothiophen-2-yl)-3-(1-methylpyrazol-4-yl)propan-1-amine
CID 103030201
1-(2-fluoro-3-methylphenyl)-3-(1-methylpyrazol-4-yl)propan-1-amine
CID 103030310
4-(3-bromo-3-cyclopropylpropyl)-1-methylpyrazole
CID 63358314

Frequently Asked Questions

What is the IUPAC name of 3-(1-methylpyrazol-4-yl)-1-(thiadiazol-4-yl)propan-1-amine?
The IUPAC name of 3-(1-methylpyrazol-4-yl)-1-(thiadiazol-4-yl)propan-1-amine (CID 103030073) is 3-(1-methylpyrazol-4-yl)-1-(thiadiazol-4-yl)propan-1-amine.
What is the SMILES notation for 3-(1-methylpyrazol-4-yl)-1-(thiadiazol-4-yl)propan-1-amine?
The canonical SMILES for 3-(1-methylpyrazol-4-yl)-1-(thiadiazol-4-yl)propan-1-amine is Cn1cc(CCC(N)c2csnn2)cn1.
What is the InChIKey of 3-(1-methylpyrazol-4-yl)-1-(thiadiazol-4-yl)propan-1-amine?
The InChIKey is NIXBDPJXOSDPHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N5S/c1-14-5-7(4-11-14)2-3-8(10)9-6-15-13-12-9/h4-6,8H,2-3,10H2,1H3.
What are the key properties of 3-(1-methylpyrazol-4-yl)-1-(thiadiazol-4-yl)propan-1-amine?
3-(1-methylpyrazol-4-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-methylpyrazol-4-yl)-1-(thiadiazol-4-yl)propan-1-amine is sourced from PubChem (CID 103030073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).