5-[[methyl-[(4-methyl-1,3-thiazol-5-yl)methyl]amino]methyl]-N-propyl-1,3,4-thiadiazol-2-amine

C12H19N5S2 — CID 80608334

IUPAC5-[[methyl-[(4-methyl-1,3-thiazol-5-yl)methyl]amino]methyl]-N-propyl-1,3,4-thiadiazol-2-amine
SMILESCCCNc1nnc(CN(C)Cc2scnc2C)s1
InChIInChI=1S/C12H19N5S2/c1-4-5-13-12-16-15-11(19-12)7-17(3)6-10-9(2)14-8-18-10/h8H,4-7H2,1-3H3,(H,13,16)
InChIKeySDHJJNRBBVAMGK-UHFFFAOYSA-N
MW297.45 g/mol
LogP2.76
Rot. Bonds7

About 5-[[methyl-[(4-methyl-1,3-thiazol-5-yl)methyl]amino]methyl]-N-propyl-1,3,4-thiadiazol-2-amine

5-[[methyl-[(4-methyl-1,3-thiazol-5-yl)methyl]amino]methyl]-N-propyl-1,3,4-thiadiazol-2-amine (PubChem CID 80608334) has the molecular formula C12H19N5S2 and a molecular weight of 297.45 g/mol. Its IUPAC name is 5-[[methyl-[(4-methyl-1,3-thiazol-5-yl)methyl]amino]methyl]-N-propyl-1,3,4-thiadiazol-2-amine.

Molecular Properties

Compound Name5-[[methyl-[(4-methyl-1,3-thiazol-5-yl)methyl]amino]methyl]-N-propyl-1,3,4-thiadiazol-2-amine
PubChem CID80608334
Molecular FormulaC12H19N5S2
Molecular Weight297.45 g/mol
Exact Mass297.11
IUPAC Name5-[[methyl-[(4-methyl-1,3-thiazol-5-yl)methyl]amino]methyl]-N-propyl-1,3,4-thiadiazol-2-amine
SMILESCCCNc1nnc(CN(C)Cc2scnc2C)s1
InChIInChI=1S/C12H19N5S2/c1-4-5-13-12-16-15-11(19-12)7-17(3)6-10-9(2)14-8-18-10/h8H,4-7H2,1-3H3,(H,13,16)
InChIKeySDHJJNRBBVAMGK-UHFFFAOYSA-N
XLogP2.76
TPSA53.94 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.45
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-[[methyl-[(4-methyl-1,3-thiazol-5-yl)methyl]amino]methyl]-N-propyl-1,3,4-thiadiazol-2-amine?
The IUPAC name of 5-[[methyl-[(4-methyl-1,3-thiazol-5-yl)methyl]amino]methyl]-N-propyl-1,3,4-thiadiazol-2-amine (CID 80608334) is 5-[[methyl-[(4-methyl-1,3-thiazol-5-yl)methyl]amino]methyl]-N-propyl-1,3,4-thiadiazol-2-amine.
What is the SMILES notation for 5-[[methyl-[(4-methyl-1,3-thiazol-5-yl)methyl]amino]methyl]-N-propyl-1,3,4-thiadiazol-2-amine?
The canonical SMILES for 5-[[methyl-[(4-methyl-1,3-thiazol-5-yl)methyl]amino]methyl]-N-propyl-1,3,4-thiadiazol-2-amine is CCCNc1nnc(CN(C)Cc2scnc2C)s1.
What is the InChIKey of 5-[[methyl-[(4-methyl-1,3-thiazol-5-yl)methyl]amino]methyl]-N-propyl-1,3,4-thiadiazol-2-amine?
The InChIKey is SDHJJNRBBVAMGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N5S2/c1-4-5-13-12-16-15-11(19-12)7-17(3)6-10-9(2)14-8-18-10/h8H,4-7H2,1-3H3,(H,13,16).
What are the key properties of 5-[[methyl-[(4-methyl-1,3-thiazol-5-yl)methyl]amino]methyl]-N-propyl-1,3,4-thiadiazol-2-amine?
5-[[methyl-[(4-methyl-1,3-thiazol-5-yl)methyl]amino]methyl]-N-propyl-1,3,4-thiadiazol-2-amine has a molecular weight of 297.45 g/mol, XLogP of 2.76, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[methyl-[(4-methyl-1,3-thiazol-5-yl)methyl]amino]methyl]-N-propyl-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 80608334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).