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

C12H19N5S2 — CID 82427390

IUPAC5-[2-[(dimethylamino)methyl]-4-methyl-1,3-thiazol-5-yl]-N-propan-2-yl-1,3,4-thiadiazol-2-amine
SMILESCc1nc(CN(C)C)sc1-c1nnc(NC(C)C)s1
InChIInChI=1S/C12H19N5S2/c1-7(2)13-12-16-15-11(19-12)10-8(3)14-9(18-10)6-17(4)5/h7H,6H2,1-5H3,(H,13,16)
InChIKeyZPHCJFDYHKCLMT-UHFFFAOYSA-N
MW297.45 g/mol
LogP2.85
Rot. Bonds5

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

5-[2-[(dimethylamino)methyl]-4-methyl-1,3-thiazol-5-yl]-N-propan-2-yl-1,3,4-thiadiazol-2-amine (PubChem CID 82427390) has the molecular formula C12H19N5S2 and a molecular weight of 297.45 g/mol. Its IUPAC name is 5-[2-[(dimethylamino)methyl]-4-methyl-1,3-thiazol-5-yl]-N-propan-2-yl-1,3,4-thiadiazol-2-amine.

Molecular Properties

Compound Name5-[2-[(dimethylamino)methyl]-4-methyl-1,3-thiazol-5-yl]-N-propan-2-yl-1,3,4-thiadiazol-2-amine
PubChem CID82427390
Molecular FormulaC12H19N5S2
Molecular Weight297.45 g/mol
Exact Mass297.11
IUPAC Name5-[2-[(dimethylamino)methyl]-4-methyl-1,3-thiazol-5-yl]-N-propan-2-yl-1,3,4-thiadiazol-2-amine
SMILESCc1nc(CN(C)C)sc1-c1nnc(NC(C)C)s1
InChIInChI=1S/C12H19N5S2/c1-7(2)13-12-16-15-11(19-12)10-8(3)14-9(18-10)6-17(4)5/h7H,6H2,1-5H3,(H,13,16)
InChIKeyZPHCJFDYHKCLMT-UHFFFAOYSA-N
XLogP2.85
TPSA53.94 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.45
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-methyl-5-[4-methyl-2-(2-methylpropyl)-1,3-thiazol-5-yl]-1,3,4-thiadiazol-2-amine
CID 82426550
N-butan-2-yl-5-[2-(dimethylamino)-4-methyl-1,3-thiazol-5-yl]-1,3,4-thiadiazol-2-amine
CID 82427815
N-(2-methylpropyl)-5-(4-methyl-2-propyl-1,3-thiazol-5-yl)-1,3,4-thiadiazol-2-amine
CID 82425775
4-[2-[2-(dimethylamino)ethyl]-4-methyl-1,3-thiazol-5-yl]-N-propan-2-yl-1,3-thiazol-2-amine
CID 82427609
N-methyl-5-(4-methyl-2-propyl-1,3-thiazol-5-yl)-1,3,4-thiadiazol-2-amine
CID 82425771
5-[2-[(dimethylamino)methyl]-4-propan-2-yl-1,3-thiazol-5-yl]-1,3,4-thiadiazol-2-amine
CID 82435187
5-[2,4-di(propan-2-yl)-1,3-thiazol-5-yl]-N-propan-2-yl-1,3,4-thiadiazol-2-amine
CID 82433685
N-ethyl-5-[2-(2-methoxyethyl)-4-methyl-1,3-thiazol-5-yl]-1,3,4-thiadiazol-2-amine
CID 82425679
5-[2-(dimethylamino)-1,3-thiazol-4-yl]-N-propan-2-yl-1,3,4-thiadiazol-2-amine
CID 82515098
4-(2-ethyl-4-methyl-1,3-thiazol-5-yl)-N-propan-2-yl-1,3-thiazol-2-amine
CID 82425564
5-[2-(2-methoxyethyl)-4-methyl-1,3-thiazol-5-yl]-N-propyl-1,3,4-thiadiazol-2-amine
CID 82425681
5-(2-cyclopropyl-4-propan-2-yl-1,3-thiazol-5-yl)-N-propan-2-yl-1,3,4-thiadiazol-2-amine
CID 82434571

Frequently Asked Questions

What is the IUPAC name of 5-[2-[(dimethylamino)methyl]-4-methyl-1,3-thiazol-5-yl]-N-propan-2-yl-1,3,4-thiadiazol-2-amine?
The IUPAC name of 5-[2-[(dimethylamino)methyl]-4-methyl-1,3-thiazol-5-yl]-N-propan-2-yl-1,3,4-thiadiazol-2-amine (CID 82427390) is 5-[2-[(dimethylamino)methyl]-4-methyl-1,3-thiazol-5-yl]-N-propan-2-yl-1,3,4-thiadiazol-2-amine.
What is the SMILES notation for 5-[2-[(dimethylamino)methyl]-4-methyl-1,3-thiazol-5-yl]-N-propan-2-yl-1,3,4-thiadiazol-2-amine?
The canonical SMILES for 5-[2-[(dimethylamino)methyl]-4-methyl-1,3-thiazol-5-yl]-N-propan-2-yl-1,3,4-thiadiazol-2-amine is Cc1nc(CN(C)C)sc1-c1nnc(NC(C)C)s1.
What is the InChIKey of 5-[2-[(dimethylamino)methyl]-4-methyl-1,3-thiazol-5-yl]-N-propan-2-yl-1,3,4-thiadiazol-2-amine?
The InChIKey is ZPHCJFDYHKCLMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N5S2/c1-7(2)13-12-16-15-11(19-12)10-8(3)14-9(18-10)6-17(4)5/h7H,6H2,1-5H3,(H,13,16).
What are the key properties of 5-[2-[(dimethylamino)methyl]-4-methyl-1,3-thiazol-5-yl]-N-propan-2-yl-1,3,4-thiadiazol-2-amine?
5-[2-[(dimethylamino)methyl]-4-methyl-1,3-thiazol-5-yl]-N-propan-2-yl-1,3,4-thiadiazol-2-amine has a molecular weight of 297.45 g/mol, XLogP of 2.85, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-[(dimethylamino)methyl]-4-methyl-1,3-thiazol-5-yl]-N-propan-2-yl-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 82427390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).