1-[methyl-[[5-(propylamino)-1,3,4-thiadiazol-2-yl]methyl]amino]propan-2-ol

C10H20N4OS — CID 80606320

IUPAC1-[methyl-[[5-(propylamino)-1,3,4-thiadiazol-2-yl]methyl]amino]propan-2-ol
SMILESCCCNc1nnc(CN(C)CC(C)O)s1
InChIInChI=1S/C10H20N4OS/c1-4-5-11-10-13-12-9(16-10)7-14(3)6-8(2)15/h8,15H,4-7H2,1-3H3,(H,11,13)
InChIKeyACPGEYRBCXLCQG-UHFFFAOYSA-N
MW244.36 g/mol
LogP1.17
Rot. Bonds7

About 1-[methyl-[[5-(propylamino)-1,3,4-thiadiazol-2-yl]methyl]amino]propan-2-ol

1-[methyl-[[5-(propylamino)-1,3,4-thiadiazol-2-yl]methyl]amino]propan-2-ol (PubChem CID 80606320) has the molecular formula C10H20N4OS and a molecular weight of 244.36 g/mol. Its IUPAC name is 1-[methyl-[[5-(propylamino)-1,3,4-thiadiazol-2-yl]methyl]amino]propan-2-ol.

Molecular Properties

Compound Name1-[methyl-[[5-(propylamino)-1,3,4-thiadiazol-2-yl]methyl]amino]propan-2-ol
PubChem CID80606320
Molecular FormulaC10H20N4OS
Molecular Weight244.36 g/mol
Exact Mass244.14
IUPAC Name1-[methyl-[[5-(propylamino)-1,3,4-thiadiazol-2-yl]methyl]amino]propan-2-ol
SMILESCCCNc1nnc(CN(C)CC(C)O)s1
InChIInChI=1S/C10H20N4OS/c1-4-5-11-10-13-12-9(16-10)7-14(3)6-8(2)15/h8,15H,4-7H2,1-3H3,(H,11,13)
InChIKeyACPGEYRBCXLCQG-UHFFFAOYSA-N
XLogP1.17
TPSA61.28 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.36
LogP ≤ 51.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 1-[methyl-[[5-(propylamino)-1,3,4-thiadiazol-2-yl]methyl]amino]propan-2-ol with MolForge

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Related Compounds

5-[[bis(3-methylbutyl)amino]methyl]-N-propyl-1,3,4-thiadiazol-2-amine
CID 107871076
5-[[2-ethoxyethyl(methyl)amino]methyl]-N-propyl-1,3,4-thiadiazol-2-amine
CID 81074660
5-[[methyl(3,3,3-trifluoropropyl)amino]methyl]-N-propyl-1,3,4-thiadiazol-2-amine
CID 80608157
2-[methyl-[[5-(propylamino)-1,3,4-thiadiazol-2-yl]methyl]amino]-1-pyrrolidin-1-ylethanone
CID 80606899
5-[[(5-bromothiophen-3-yl)methyl-methylamino]methyl]-N-propyl-1,3,4-thiadiazol-2-amine
CID 80606208
5-[[methyl-[(1-methylpiperidin-4-yl)methyl]amino]methyl]-N-propyl-1,3,4-thiadiazol-2-amine
CID 80608418
5-[[(3-fluorophenyl)methyl-methylamino]methyl]-N-propyl-1,3,4-thiadiazol-2-amine
CID 80607718
5-[[benzyl(propan-2-yl)amino]methyl]-N-propyl-1,3,4-thiadiazol-2-amine
CID 80611385
5-(propan-2-yloxymethyl)-N-propyl-1,3,4-thiadiazol-2-amine
CID 80607854
5-[[bis(cyclopropylmethyl)amino]methyl]-N-propyl-1,3,4-thiadiazol-2-amine
CID 80608516
2-[[5-(ethylamino)-1,3,4-thiadiazol-2-yl]methyl-methylamino]propan-1-ol
CID 104554428
N-ethyl-2-[ethyl-[[5-(propylamino)-1,3,4-thiadiazol-2-yl]methyl]amino]acetamide
CID 80606213

Frequently Asked Questions

What is the IUPAC name of 1-[methyl-[[5-(propylamino)-1,3,4-thiadiazol-2-yl]methyl]amino]propan-2-ol?
The IUPAC name of 1-[methyl-[[5-(propylamino)-1,3,4-thiadiazol-2-yl]methyl]amino]propan-2-ol (CID 80606320) is 1-[methyl-[[5-(propylamino)-1,3,4-thiadiazol-2-yl]methyl]amino]propan-2-ol.
What is the SMILES notation for 1-[methyl-[[5-(propylamino)-1,3,4-thiadiazol-2-yl]methyl]amino]propan-2-ol?
The canonical SMILES for 1-[methyl-[[5-(propylamino)-1,3,4-thiadiazol-2-yl]methyl]amino]propan-2-ol is CCCNc1nnc(CN(C)CC(C)O)s1.
What is the InChIKey of 1-[methyl-[[5-(propylamino)-1,3,4-thiadiazol-2-yl]methyl]amino]propan-2-ol?
The InChIKey is ACPGEYRBCXLCQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N4OS/c1-4-5-11-10-13-12-9(16-10)7-14(3)6-8(2)15/h8,15H,4-7H2,1-3H3,(H,11,13).
What are the key properties of 1-[methyl-[[5-(propylamino)-1,3,4-thiadiazol-2-yl]methyl]amino]propan-2-ol?
1-[methyl-[[5-(propylamino)-1,3,4-thiadiazol-2-yl]methyl]amino]propan-2-ol has a molecular weight of 244.36 g/mol, XLogP of 1.17, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[methyl-[[5-(propylamino)-1,3,4-thiadiazol-2-yl]methyl]amino]propan-2-ol is sourced from PubChem (CID 80606320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).