5-[(1-methylpyrazol-4-yl)sulfanylmethyl]-N-propyl-1,3-thiazol-2-amine

C11H16N4S2 — CID 79775276

IUPAC5-[(1-methylpyrazol-4-yl)sulfanylmethyl]-N-propyl-1,3-thiazol-2-amine
SMILESCCCNc1ncc(CSc2cnn(C)c2)s1
InChIInChI=1S/C11H16N4S2/c1-3-4-12-11-13-5-10(17-11)8-16-9-6-14-15(2)7-9/h5-7H,3-4,8H2,1-2H3,(H,12,13)
InChIKeyVPPOVMPXNPRTSR-UHFFFAOYSA-N
MW268.41 g/mol
LogP2.99
Rot. Bonds6

About 5-[(1-methylpyrazol-4-yl)sulfanylmethyl]-N-propyl-1,3-thiazol-2-amine

5-[(1-methylpyrazol-4-yl)sulfanylmethyl]-N-propyl-1,3-thiazol-2-amine (PubChem CID 79775276) has the molecular formula C11H16N4S2 and a molecular weight of 268.41 g/mol. Its IUPAC name is 5-[(1-methylpyrazol-4-yl)sulfanylmethyl]-N-propyl-1,3-thiazol-2-amine.

Molecular Properties

Compound Name5-[(1-methylpyrazol-4-yl)sulfanylmethyl]-N-propyl-1,3-thiazol-2-amine
PubChem CID79775276
Molecular FormulaC11H16N4S2
Molecular Weight268.41 g/mol
Exact Mass268.08
IUPAC Name5-[(1-methylpyrazol-4-yl)sulfanylmethyl]-N-propyl-1,3-thiazol-2-amine
SMILESCCCNc1ncc(CSc2cnn(C)c2)s1
InChIInChI=1S/C11H16N4S2/c1-3-4-12-11-13-5-10(17-11)8-16-9-6-14-15(2)7-9/h5-7H,3-4,8H2,1-2H3,(H,12,13)
InChIKeyVPPOVMPXNPRTSR-UHFFFAOYSA-N
XLogP2.99
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.41
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 5-[(1-methylpyrazol-4-yl)sulfanylmethyl]-N-propyl-1,3-thiazol-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-[(4-tert-butylphenyl)sulfanylmethyl]-N-propyl-1,3-thiazol-2-amine
CID 79760535
5-[(3-chlorophenyl)sulfanylmethyl]-N-propyl-1,3-thiazol-2-amine
CID 79775087
N-propyl-5-(propylsulfanylmethyl)-1,3-thiazol-2-amine
CID 79774133
5-ethyl-N-propyl-1,3-thiazol-2-amine
CID 62943674
N-propyl-5-(thiophen-2-ylsulfanylmethyl)-1,3-thiazol-2-amine
CID 79775172
5-[(2-chlorophenyl)sulfanylmethyl]-N-propyl-1,3-thiazol-2-amine
CID 79775075
5-[(4-methylpyrimidin-2-yl)sulfanylmethyl]-N-propyl-1,3-thiazol-2-amine
CID 79774624
4-cyclopropyl-3-[[2-(propylamino)-1,3-thiazol-5-yl]methylsulfanyl]-1H-1,2,4-triazol-5-one
CID 79773857
N-ethyl-5-[(4-methylphenyl)sulfanylmethyl]-1,3-thiazol-2-amine
CID 79773840
N-methyl-5-[2-[2-(propylamino)-1,3-thiazol-5-yl]ethyl]-1,3-thiazol-2-amine
CID 79774348
N-ethyl-5-[(1-methyltetrazol-5-yl)sulfanylmethyl]-1,3-thiazol-2-amine
CID 79774889
N-propyl-5-[[4-(trifluoromethyl)pyrazol-1-yl]methyl]-1,3-thiazol-2-amine
CID 79775029

Frequently Asked Questions

What is the IUPAC name of 5-[(1-methylpyrazol-4-yl)sulfanylmethyl]-N-propyl-1,3-thiazol-2-amine?
The IUPAC name of 5-[(1-methylpyrazol-4-yl)sulfanylmethyl]-N-propyl-1,3-thiazol-2-amine (CID 79775276) is 5-[(1-methylpyrazol-4-yl)sulfanylmethyl]-N-propyl-1,3-thiazol-2-amine.
What is the SMILES notation for 5-[(1-methylpyrazol-4-yl)sulfanylmethyl]-N-propyl-1,3-thiazol-2-amine?
The canonical SMILES for 5-[(1-methylpyrazol-4-yl)sulfanylmethyl]-N-propyl-1,3-thiazol-2-amine is CCCNc1ncc(CSc2cnn(C)c2)s1.
What is the InChIKey of 5-[(1-methylpyrazol-4-yl)sulfanylmethyl]-N-propyl-1,3-thiazol-2-amine?
The InChIKey is VPPOVMPXNPRTSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N4S2/c1-3-4-12-11-13-5-10(17-11)8-16-9-6-14-15(2)7-9/h5-7H,3-4,8H2,1-2H3,(H,12,13).
What are the key properties of 5-[(1-methylpyrazol-4-yl)sulfanylmethyl]-N-propyl-1,3-thiazol-2-amine?
5-[(1-methylpyrazol-4-yl)sulfanylmethyl]-N-propyl-1,3-thiazol-2-amine has a molecular weight of 268.41 g/mol, XLogP of 2.99, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(1-methylpyrazol-4-yl)sulfanylmethyl]-N-propyl-1,3-thiazol-2-amine is sourced from PubChem (CID 79775276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).