3-(1-methylpyrazol-4-yl)-1-(4-methyl-1,3-thiazol-5-yl)propan-1-amine

C11H16N4S — CID 103029784

IUPAC3-(1-methylpyrazol-4-yl)-1-(4-methyl-1,3-thiazol-5-yl)propan-1-amine
SMILESCc1ncsc1C(N)CCc1cnn(C)c1
InChIInChI=1S/C11H16N4S/c1-8-11(16-7-13-8)10(12)4-3-9-5-14-15(2)6-9/h5-7,10H,3-4,12H2,1-2H3
InChIKeyDMJUPNFSRREEFY-UHFFFAOYSA-N
MW236.34 g/mol
LogP1.82
Rot. Bonds4

About 3-(1-methylpyrazol-4-yl)-1-(4-methyl-1,3-thiazol-5-yl)propan-1-amine

3-(1-methylpyrazol-4-yl)-1-(4-methyl-1,3-thiazol-5-yl)propan-1-amine (PubChem CID 103029784) has the molecular formula C11H16N4S and a molecular weight of 236.34 g/mol. Its IUPAC name is 3-(1-methylpyrazol-4-yl)-1-(4-methyl-1,3-thiazol-5-yl)propan-1-amine.

Molecular Properties

Compound Name3-(1-methylpyrazol-4-yl)-1-(4-methyl-1,3-thiazol-5-yl)propan-1-amine
PubChem CID103029784
Molecular FormulaC11H16N4S
Molecular Weight236.34 g/mol
Exact Mass236.11
IUPAC Name3-(1-methylpyrazol-4-yl)-1-(4-methyl-1,3-thiazol-5-yl)propan-1-amine
SMILESCc1ncsc1C(N)CCc1cnn(C)c1
InChIInChI=1S/C11H16N4S/c1-8-11(16-7-13-8)10(12)4-3-9-5-14-15(2)6-9/h5-7,10H,3-4,12H2,1-2H3
InChIKeyDMJUPNFSRREEFY-UHFFFAOYSA-N
XLogP1.82
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.34
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(1-methylpyrazol-4-yl)-1-(4-methyl-1,3-thiazol-5-yl)propan-1-amine?
The IUPAC name of 3-(1-methylpyrazol-4-yl)-1-(4-methyl-1,3-thiazol-5-yl)propan-1-amine (CID 103029784) is 3-(1-methylpyrazol-4-yl)-1-(4-methyl-1,3-thiazol-5-yl)propan-1-amine.
What is the SMILES notation for 3-(1-methylpyrazol-4-yl)-1-(4-methyl-1,3-thiazol-5-yl)propan-1-amine?
The canonical SMILES for 3-(1-methylpyrazol-4-yl)-1-(4-methyl-1,3-thiazol-5-yl)propan-1-amine is Cc1ncsc1C(N)CCc1cnn(C)c1.
What is the InChIKey of 3-(1-methylpyrazol-4-yl)-1-(4-methyl-1,3-thiazol-5-yl)propan-1-amine?
The InChIKey is DMJUPNFSRREEFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N4S/c1-8-11(16-7-13-8)10(12)4-3-9-5-14-15(2)6-9/h5-7,10H,3-4,12H2,1-2H3.
What are the key properties of 3-(1-methylpyrazol-4-yl)-1-(4-methyl-1,3-thiazol-5-yl)propan-1-amine?
3-(1-methylpyrazol-4-yl)-1-(4-methyl-1,3-thiazol-5-yl)propan-1-amine has a molecular weight of 236.34 g/mol, XLogP of 1.82, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-methylpyrazol-4-yl)-1-(4-methyl-1,3-thiazol-5-yl)propan-1-amine is sourced from PubChem (CID 103029784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).