4-[[cyclopropyl(1,3-thiazol-2-ylmethyl)amino]methyl]-N-methyl-1,3-thiazol-2-amine

C12H16N4S2 — CID 91836656

IUPAC4-[[cyclopropyl(1,3-thiazol-2-ylmethyl)amino]methyl]-N-methyl-1,3-thiazol-2-amine
SMILESCNc1nc(CN(Cc2nccs2)C2CC2)cs1
InChIInChI=1S/C12H16N4S2/c1-13-12-15-9(8-18-12)6-16(10-2-3-10)7-11-14-4-5-17-11/h4-5,8,10H,2-3,6-7H2,1H3,(H,13,15)
InChIKeyGPHAWLOVFILLAV-UHFFFAOYSA-N
MW280.42 g/mol
LogP2.81
Rot. Bonds6

About 4-[[cyclopropyl(1,3-thiazol-2-ylmethyl)amino]methyl]-N-methyl-1,3-thiazol-2-amine

4-[[cyclopropyl(1,3-thiazol-2-ylmethyl)amino]methyl]-N-methyl-1,3-thiazol-2-amine (PubChem CID 91836656) has the molecular formula C12H16N4S2 and a molecular weight of 280.42 g/mol. Its IUPAC name is 4-[[cyclopropyl(1,3-thiazol-2-ylmethyl)amino]methyl]-N-methyl-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-[[cyclopropyl(1,3-thiazol-2-ylmethyl)amino]methyl]-N-methyl-1,3-thiazol-2-amine
PubChem CID91836656
Molecular FormulaC12H16N4S2
Molecular Weight280.42 g/mol
Exact Mass280.08
IUPAC Name4-[[cyclopropyl(1,3-thiazol-2-ylmethyl)amino]methyl]-N-methyl-1,3-thiazol-2-amine
SMILESCNc1nc(CN(Cc2nccs2)C2CC2)cs1
InChIInChI=1S/C12H16N4S2/c1-13-12-15-9(8-18-12)6-16(10-2-3-10)7-11-14-4-5-17-11/h4-5,8,10H,2-3,6-7H2,1H3,(H,13,15)
InChIKeyGPHAWLOVFILLAV-UHFFFAOYSA-N
XLogP2.81
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.42
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[[cyclopropyl(1,3-thiazol-2-ylmethyl)amino]methyl]-N-methyl-1,3-thiazol-2-amine?
The IUPAC name of 4-[[cyclopropyl(1,3-thiazol-2-ylmethyl)amino]methyl]-N-methyl-1,3-thiazol-2-amine (CID 91836656) is 4-[[cyclopropyl(1,3-thiazol-2-ylmethyl)amino]methyl]-N-methyl-1,3-thiazol-2-amine.
What is the SMILES notation for 4-[[cyclopropyl(1,3-thiazol-2-ylmethyl)amino]methyl]-N-methyl-1,3-thiazol-2-amine?
The canonical SMILES for 4-[[cyclopropyl(1,3-thiazol-2-ylmethyl)amino]methyl]-N-methyl-1,3-thiazol-2-amine is CNc1nc(CN(Cc2nccs2)C2CC2)cs1.
What is the InChIKey of 4-[[cyclopropyl(1,3-thiazol-2-ylmethyl)amino]methyl]-N-methyl-1,3-thiazol-2-amine?
The InChIKey is GPHAWLOVFILLAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4S2/c1-13-12-15-9(8-18-12)6-16(10-2-3-10)7-11-14-4-5-17-11/h4-5,8,10H,2-3,6-7H2,1H3,(H,13,15).
What are the key properties of 4-[[cyclopropyl(1,3-thiazol-2-ylmethyl)amino]methyl]-N-methyl-1,3-thiazol-2-amine?
4-[[cyclopropyl(1,3-thiazol-2-ylmethyl)amino]methyl]-N-methyl-1,3-thiazol-2-amine has a molecular weight of 280.42 g/mol, XLogP of 2.81, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[cyclopropyl(1,3-thiazol-2-ylmethyl)amino]methyl]-N-methyl-1,3-thiazol-2-amine is sourced from PubChem (CID 91836656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).