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

C11H16N4S — CID 62542707

IUPACN-[[4-(1-methylpyrazol-4-yl)-1,3-thiazol-2-yl]methyl]propan-2-amine
SMILESCC(C)NCc1nc(-c2cnn(C)c2)cs1
InChIInChI=1S/C11H16N4S/c1-8(2)12-5-11-14-10(7-16-11)9-4-13-15(3)6-9/h4,6-8,12H,5H2,1-3H3
InChIKeyQYUZCASARQEXFP-UHFFFAOYSA-N
MW236.34 g/mol
LogP2.04
Rot. Bonds4

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

N-[[4-(1-methylpyrazol-4-yl)-1,3-thiazol-2-yl]methyl]propan-2-amine (PubChem CID 62542707) has the molecular formula C11H16N4S and a molecular weight of 236.34 g/mol. Its IUPAC name is N-[[4-(1-methylpyrazol-4-yl)-1,3-thiazol-2-yl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[4-(1-methylpyrazol-4-yl)-1,3-thiazol-2-yl]methyl]propan-2-amine
PubChem CID62542707
Molecular FormulaC11H16N4S
Molecular Weight236.34 g/mol
Exact Mass236.11
IUPAC NameN-[[4-(1-methylpyrazol-4-yl)-1,3-thiazol-2-yl]methyl]propan-2-amine
SMILESCC(C)NCc1nc(-c2cnn(C)c2)cs1
InChIInChI=1S/C11H16N4S/c1-8(2)12-5-11-14-10(7-16-11)9-4-13-15(3)6-9/h4,6-8,12H,5H2,1-3H3
InChIKeyQYUZCASARQEXFP-UHFFFAOYSA-N
XLogP2.04
TPSA42.74 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 ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[[4-(1-methylpyrazol-4-yl)-1,3-thiazol-2-yl]methyl]propan-2-amine?
The IUPAC name of N-[[4-(1-methylpyrazol-4-yl)-1,3-thiazol-2-yl]methyl]propan-2-amine (CID 62542707) is N-[[4-(1-methylpyrazol-4-yl)-1,3-thiazol-2-yl]methyl]propan-2-amine.
What is the SMILES notation for N-[[4-(1-methylpyrazol-4-yl)-1,3-thiazol-2-yl]methyl]propan-2-amine?
The canonical SMILES for N-[[4-(1-methylpyrazol-4-yl)-1,3-thiazol-2-yl]methyl]propan-2-amine is CC(C)NCc1nc(-c2cnn(C)c2)cs1.
What is the InChIKey of N-[[4-(1-methylpyrazol-4-yl)-1,3-thiazol-2-yl]methyl]propan-2-amine?
The InChIKey is QYUZCASARQEXFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N4S/c1-8(2)12-5-11-14-10(7-16-11)9-4-13-15(3)6-9/h4,6-8,12H,5H2,1-3H3.
What are the key properties of N-[[4-(1-methylpyrazol-4-yl)-1,3-thiazol-2-yl]methyl]propan-2-amine?
N-[[4-(1-methylpyrazol-4-yl)-1,3-thiazol-2-yl]methyl]propan-2-amine has a molecular weight of 236.34 g/mol, XLogP of 2.04, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(1-methylpyrazol-4-yl)-1,3-thiazol-2-yl]methyl]propan-2-amine is sourced from PubChem (CID 62542707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).