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

C12H18N4S — CID 103029682

IUPACN-methyl-3-(1-methylpyrazol-4-yl)-1-(4-methyl-1,3-thiazol-5-yl)propan-1-amine
SMILESCNC(CCc1cnn(C)c1)c1scnc1C
InChIInChI=1S/C12H18N4S/c1-9-12(17-8-14-9)11(13-2)5-4-10-6-15-16(3)7-10/h6-8,11,13H,4-5H2,1-3H3
InChIKeyMBOMDAYHSSOVLF-UHFFFAOYSA-N
MW250.37 g/mol
LogP2.08
Rot. Bonds5

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

N-methyl-3-(1-methylpyrazol-4-yl)-1-(4-methyl-1,3-thiazol-5-yl)propan-1-amine (PubChem CID 103029682) has the molecular formula C12H18N4S and a molecular weight of 250.37 g/mol. Its IUPAC name is N-methyl-3-(1-methylpyrazol-4-yl)-1-(4-methyl-1,3-thiazol-5-yl)propan-1-amine.

Molecular Properties

Compound NameN-methyl-3-(1-methylpyrazol-4-yl)-1-(4-methyl-1,3-thiazol-5-yl)propan-1-amine
PubChem CID103029682
Molecular FormulaC12H18N4S
Molecular Weight250.37 g/mol
Exact Mass250.13
IUPAC NameN-methyl-3-(1-methylpyrazol-4-yl)-1-(4-methyl-1,3-thiazol-5-yl)propan-1-amine
SMILESCNC(CCc1cnn(C)c1)c1scnc1C
InChIInChI=1S/C12H18N4S/c1-9-12(17-8-14-9)11(13-2)5-4-10-6-15-16(3)7-10/h6-8,11,13H,4-5H2,1-3H3
InChIKeyMBOMDAYHSSOVLF-UHFFFAOYSA-N
XLogP2.08
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.37
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-methyl-3-(1-methylpyrazol-4-yl)-1-(4-methyl-1,3-thiazol-5-yl)propan-1-amine?
The IUPAC name of N-methyl-3-(1-methylpyrazol-4-yl)-1-(4-methyl-1,3-thiazol-5-yl)propan-1-amine (CID 103029682) is N-methyl-3-(1-methylpyrazol-4-yl)-1-(4-methyl-1,3-thiazol-5-yl)propan-1-amine.
What is the SMILES notation for N-methyl-3-(1-methylpyrazol-4-yl)-1-(4-methyl-1,3-thiazol-5-yl)propan-1-amine?
The canonical SMILES for N-methyl-3-(1-methylpyrazol-4-yl)-1-(4-methyl-1,3-thiazol-5-yl)propan-1-amine is CNC(CCc1cnn(C)c1)c1scnc1C.
What is the InChIKey of N-methyl-3-(1-methylpyrazol-4-yl)-1-(4-methyl-1,3-thiazol-5-yl)propan-1-amine?
The InChIKey is MBOMDAYHSSOVLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4S/c1-9-12(17-8-14-9)11(13-2)5-4-10-6-15-16(3)7-10/h6-8,11,13H,4-5H2,1-3H3.
What are the key properties of N-methyl-3-(1-methylpyrazol-4-yl)-1-(4-methyl-1,3-thiazol-5-yl)propan-1-amine?
N-methyl-3-(1-methylpyrazol-4-yl)-1-(4-methyl-1,3-thiazol-5-yl)propan-1-amine has a molecular weight of 250.37 g/mol, XLogP of 2.08, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-3-(1-methylpyrazol-4-yl)-1-(4-methyl-1,3-thiazol-5-yl)propan-1-amine is sourced from PubChem (CID 103029682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).