N-[(3-propylimidazol-4-yl)methyl]-1,3,4-thiadiazol-2-amine

C9H13N5S — CID 107648818

IUPACN-[(3-propylimidazol-4-yl)methyl]-1,3,4-thiadiazol-2-amine
SMILESCCCn1cncc1CNc1nncs1
InChIInChI=1S/C9H13N5S/c1-2-3-14-6-10-4-8(14)5-11-9-13-12-7-15-9/h4,6-7H,2-3,5H2,1H3,(H,11,13)
InChIKeyRMDLDEGXBNXNAS-UHFFFAOYSA-N
MW223.31 g/mol
LogP1.76
Rot. Bonds5

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

N-[(3-propylimidazol-4-yl)methyl]-1,3,4-thiadiazol-2-amine (PubChem CID 107648818) has the molecular formula C9H13N5S and a molecular weight of 223.31 g/mol. Its IUPAC name is N-[(3-propylimidazol-4-yl)methyl]-1,3,4-thiadiazol-2-amine.

Molecular Properties

Compound NameN-[(3-propylimidazol-4-yl)methyl]-1,3,4-thiadiazol-2-amine
PubChem CID107648818
Molecular FormulaC9H13N5S
Molecular Weight223.31 g/mol
Exact Mass223.09
IUPAC NameN-[(3-propylimidazol-4-yl)methyl]-1,3,4-thiadiazol-2-amine
SMILESCCCn1cncc1CNc1nncs1
InChIInChI=1S/C9H13N5S/c1-2-3-14-6-10-4-8(14)5-11-9-13-12-7-15-9/h4,6-7H,2-3,5H2,1H3,(H,11,13)
InChIKeyRMDLDEGXBNXNAS-UHFFFAOYSA-N
XLogP1.76
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.31
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(1-propylpyrrol-2-yl)methyl]-1,3,4-thiadiazol-2-amine
CID 107648591
2,4,6-trifluoro-N-[(3-propylimidazol-4-yl)methyl]aniline
CID 66129397
2-iodo-N-[(3-propylimidazol-4-yl)methyl]aniline
CID 66135192
1-methyl-N-[(3-propylimidazol-4-yl)methyl]pyrazol-4-amine
CID 66135408
1,3-dimethyl-N-[(3-propylimidazol-4-yl)methyl]pyrazol-4-amine
CID 102804515
2,4,6-trichloro-N-[(3-propylimidazol-4-yl)methyl]aniline
CID 66135198
3,4-dichloro-N-[(3-propylimidazol-4-yl)methyl]aniline
CID 66134981
2-propan-2-yl-N-[(3-propylimidazol-4-yl)methyl]aniline
CID 66133336
1-(3-propylimidazol-4-yl)-N-(1,3-thiazol-4-ylmethyl)methanamine
CID 66129392
2,6-dichloro-4-[(3-propylimidazol-4-yl)methylamino]phenol
CID 107679308
4-butyl-N-[(3-propylimidazol-4-yl)methyl]aniline
CID 66134569
3-fluoro-5-methyl-N-[(3-propylimidazol-4-yl)methyl]aniline
CID 79054956

Frequently Asked Questions

What is the IUPAC name of N-[(3-propylimidazol-4-yl)methyl]-1,3,4-thiadiazol-2-amine?
The IUPAC name of N-[(3-propylimidazol-4-yl)methyl]-1,3,4-thiadiazol-2-amine (CID 107648818) is N-[(3-propylimidazol-4-yl)methyl]-1,3,4-thiadiazol-2-amine.
What is the SMILES notation for N-[(3-propylimidazol-4-yl)methyl]-1,3,4-thiadiazol-2-amine?
The canonical SMILES for N-[(3-propylimidazol-4-yl)methyl]-1,3,4-thiadiazol-2-amine is CCCn1cncc1CNc1nncs1.
What is the InChIKey of N-[(3-propylimidazol-4-yl)methyl]-1,3,4-thiadiazol-2-amine?
The InChIKey is RMDLDEGXBNXNAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N5S/c1-2-3-14-6-10-4-8(14)5-11-9-13-12-7-15-9/h4,6-7H,2-3,5H2,1H3,(H,11,13).
What are the key properties of N-[(3-propylimidazol-4-yl)methyl]-1,3,4-thiadiazol-2-amine?
N-[(3-propylimidazol-4-yl)methyl]-1,3,4-thiadiazol-2-amine has a molecular weight of 223.31 g/mol, XLogP of 1.76, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-propylimidazol-4-yl)methyl]-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 107648818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).