[2-(4-propan-2-ylpyrazol-1-yl)-1,3-thiazol-5-yl]methanamine

C10H14N4S — CID 135323717

IUPAC[2-(4-propan-2-ylpyrazol-1-yl)-1,3-thiazol-5-yl]methanamine
SMILESCC(C)c1cnn(-c2ncc(CN)s2)c1
InChIInChI=1S/C10H14N4S/c1-7(2)8-4-13-14(6-8)10-12-5-9(3-11)15-10/h4-7H,3,11H2,1-2H3
InChIKeyMDWAJLSVUVRBMD-UHFFFAOYSA-N
MW222.32 g/mol
LogP1.91
Rot. Bonds3

About [2-(4-propan-2-ylpyrazol-1-yl)-1,3-thiazol-5-yl]methanamine

[2-(4-propan-2-ylpyrazol-1-yl)-1,3-thiazol-5-yl]methanamine (PubChem CID 135323717) has the molecular formula C10H14N4S and a molecular weight of 222.32 g/mol. Its IUPAC name is [2-(4-propan-2-ylpyrazol-1-yl)-1,3-thiazol-5-yl]methanamine.

Molecular Properties

Compound Name[2-(4-propan-2-ylpyrazol-1-yl)-1,3-thiazol-5-yl]methanamine
PubChem CID135323717
Molecular FormulaC10H14N4S
Molecular Weight222.32 g/mol
Exact Mass222.09
IUPAC Name[2-(4-propan-2-ylpyrazol-1-yl)-1,3-thiazol-5-yl]methanamine
SMILESCC(C)c1cnn(-c2ncc(CN)s2)c1
InChIInChI=1S/C10H14N4S/c1-7(2)8-4-13-14(6-8)10-12-5-9(3-11)15-10/h4-7H,3,11H2,1-2H3
InChIKeyMDWAJLSVUVRBMD-UHFFFAOYSA-N
XLogP1.91
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.32
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

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CID 135323372
CID 135323372
CID 168853617
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CID 170039489
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CID 174090474
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CID 175861271
CID 175861271
CID 178465892
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CID 79774939
CID 79774939
CID 79775029
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CID 100705287
CID 100705287

Frequently Asked Questions

What is the IUPAC name of [2-(4-propan-2-ylpyrazol-1-yl)-1,3-thiazol-5-yl]methanamine?
The IUPAC name of [2-(4-propan-2-ylpyrazol-1-yl)-1,3-thiazol-5-yl]methanamine (CID 135323717) is [2-(4-propan-2-ylpyrazol-1-yl)-1,3-thiazol-5-yl]methanamine.
What is the SMILES notation for [2-(4-propan-2-ylpyrazol-1-yl)-1,3-thiazol-5-yl]methanamine?
The canonical SMILES for [2-(4-propan-2-ylpyrazol-1-yl)-1,3-thiazol-5-yl]methanamine is CC(C)c1cnn(-c2ncc(CN)s2)c1.
What is the InChIKey of [2-(4-propan-2-ylpyrazol-1-yl)-1,3-thiazol-5-yl]methanamine?
The InChIKey is MDWAJLSVUVRBMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N4S/c1-7(2)8-4-13-14(6-8)10-12-5-9(3-11)15-10/h4-7H,3,11H2,1-2H3.
What are the key properties of [2-(4-propan-2-ylpyrazol-1-yl)-1,3-thiazol-5-yl]methanamine?
[2-(4-propan-2-ylpyrazol-1-yl)-1,3-thiazol-5-yl]methanamine has a molecular weight of 222.32 g/mol, XLogP of 1.91, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-propan-2-ylpyrazol-1-yl)-1,3-thiazol-5-yl]methanamine is sourced from PubChem (CID 135323717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).