5-propyl-N-(1H-pyrrol-3-ylmethyl)-1,3,4-thiadiazol-2-amine

C10H14N4S — CID 115925016

IUPAC5-propyl-N-(1H-pyrrol-3-ylmethyl)-1,3,4-thiadiazol-2-amine
SMILESCCCc1nnc(NCc2cc[nH]c2)s1
InChIInChI=1S/C10H14N4S/c1-2-3-9-13-14-10(15-9)12-7-8-4-5-11-6-8/h4-6,11H,2-3,7H2,1H3,(H,12,14)
InChIKeyQXHMWDBCBWVLGT-UHFFFAOYSA-N
MW222.32 g/mol
LogP2.43
Rot. Bonds5

About 5-propyl-N-(1H-pyrrol-3-ylmethyl)-1,3,4-thiadiazol-2-amine

5-propyl-N-(1H-pyrrol-3-ylmethyl)-1,3,4-thiadiazol-2-amine (PubChem CID 115925016) has the molecular formula C10H14N4S and a molecular weight of 222.32 g/mol. Its IUPAC name is 5-propyl-N-(1H-pyrrol-3-ylmethyl)-1,3,4-thiadiazol-2-amine.

Molecular Properties

Compound Name5-propyl-N-(1H-pyrrol-3-ylmethyl)-1,3,4-thiadiazol-2-amine
PubChem CID115925016
Molecular FormulaC10H14N4S
Molecular Weight222.32 g/mol
Exact Mass222.09
IUPAC Name5-propyl-N-(1H-pyrrol-3-ylmethyl)-1,3,4-thiadiazol-2-amine
SMILESCCCc1nnc(NCc2cc[nH]c2)s1
InChIInChI=1S/C10H14N4S/c1-2-3-9-13-14-10(15-9)12-7-8-4-5-11-6-8/h4-6,11H,2-3,7H2,1H3,(H,12,14)
InChIKeyQXHMWDBCBWVLGT-UHFFFAOYSA-N
XLogP2.43
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.32
LogP ≤ 52.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-propyl-N-(pyrimidin-5-ylmethyl)-1,3,4-thiadiazol-2-amine
CID 115925012
5-butyl-N-(thiophen-2-ylmethyl)-1,3,4-thiadiazol-2-amine
CID 115910533
5-propyl-N-[(5-pyridin-3-yl-1H-pyrazol-4-yl)methyl]-1,3,4-thiadiazol-2-amine
CID 75498213
5-ethyl-N-(pyrimidin-5-ylmethyl)-1,3,4-thiadiazol-2-amine
CID 115924687
N-(5-propyl-1,3,4-thiadiazol-2-yl)pyridine-2-carboxamide
CID 717037
1-(4-bromophenyl)-2-[(5-propyl-1,3,4-thiadiazol-2-yl)amino]ethanone
CID 110825509
4-[[(5-ethyl-1,3,4-thiadiazol-2-yl)amino]methyl]benzamide
CID 113341451
N-(5-propyl-1,3,4-thiadiazol-2-yl)formamide
CID 21239238
5-ethyl-N-[(4-fluoro-3-methylphenyl)methyl]-1,3,4-thiadiazol-2-amine
CID 103865662
4-ethyl-N-(5-propyl-1,3,4-thiadiazol-2-yl)benzamide
CID 9109769
N-(5-propyl-1,3,4-thiadiazol-2-yl)-3-thiophen-3-ylpropanamide
CID 78801819
N-propyl-5-[(4-propylphenoxy)methyl]-1,3,4-thiadiazol-2-amine
CID 80613826

Frequently Asked Questions

What is the IUPAC name of 5-propyl-N-(1H-pyrrol-3-ylmethyl)-1,3,4-thiadiazol-2-amine?
The IUPAC name of 5-propyl-N-(1H-pyrrol-3-ylmethyl)-1,3,4-thiadiazol-2-amine (CID 115925016) is 5-propyl-N-(1H-pyrrol-3-ylmethyl)-1,3,4-thiadiazol-2-amine.
What is the SMILES notation for 5-propyl-N-(1H-pyrrol-3-ylmethyl)-1,3,4-thiadiazol-2-amine?
The canonical SMILES for 5-propyl-N-(1H-pyrrol-3-ylmethyl)-1,3,4-thiadiazol-2-amine is CCCc1nnc(NCc2cc[nH]c2)s1.
What is the InChIKey of 5-propyl-N-(1H-pyrrol-3-ylmethyl)-1,3,4-thiadiazol-2-amine?
The InChIKey is QXHMWDBCBWVLGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N4S/c1-2-3-9-13-14-10(15-9)12-7-8-4-5-11-6-8/h4-6,11H,2-3,7H2,1H3,(H,12,14).
What are the key properties of 5-propyl-N-(1H-pyrrol-3-ylmethyl)-1,3,4-thiadiazol-2-amine?
5-propyl-N-(1H-pyrrol-3-ylmethyl)-1,3,4-thiadiazol-2-amine has a molecular weight of 222.32 g/mol, XLogP of 2.43, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-propyl-N-(1H-pyrrol-3-ylmethyl)-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 115925016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).