2-methyl-4-[(2S)-1-[(3-methyl-1-propan-2-ylpyrazol-4-yl)methyl]pyrrolidin-2-yl]-1,3-thiazole

C16H24N4S — CID 124889166

IUPAC2-methyl-4-[(2S)-1-[(3-methyl-1-propan-2-ylpyrazol-4-yl)methyl]pyrrolidin-2-yl]-1,3-thiazole
SMILESCc1nc([C@@H]2CCCN2Cc2cn(C(C)C)nc2C)cs1
InChIInChI=1S/C16H24N4S/c1-11(2)20-9-14(12(3)18-20)8-19-7-5-6-16(19)15-10-21-13(4)17-15/h9-11,16H,5-8H2,1-4H3/t16-/m0/s1
InChIKeyQHVRGHSJLIPDHK-INIZCTEOSA-N
MW304.46 g/mol
LogP3.87
Rot. Bonds4

About 2-methyl-4-[(2S)-1-[(3-methyl-1-propan-2-ylpyrazol-4-yl)methyl]pyrrolidin-2-yl]-1,3-thiazole

2-methyl-4-[(2S)-1-[(3-methyl-1-propan-2-ylpyrazol-4-yl)methyl]pyrrolidin-2-yl]-1,3-thiazole (PubChem CID 124889166) has the molecular formula C16H24N4S and a molecular weight of 304.46 g/mol. Its IUPAC name is 2-methyl-4-[(2S)-1-[(3-methyl-1-propan-2-ylpyrazol-4-yl)methyl]pyrrolidin-2-yl]-1,3-thiazole.

Molecular Properties

Compound Name2-methyl-4-[(2S)-1-[(3-methyl-1-propan-2-ylpyrazol-4-yl)methyl]pyrrolidin-2-yl]-1,3-thiazole
PubChem CID124889166
Molecular FormulaC16H24N4S
Molecular Weight304.46 g/mol
Exact Mass304.17
IUPAC Name2-methyl-4-[(2S)-1-[(3-methyl-1-propan-2-ylpyrazol-4-yl)methyl]pyrrolidin-2-yl]-1,3-thiazole
SMILESCc1nc([C@@H]2CCCN2Cc2cn(C(C)C)nc2C)cs1
InChIInChI=1S/C16H24N4S/c1-11(2)20-9-14(12(3)18-20)8-19-7-5-6-16(19)15-10-21-13(4)17-15/h9-11,16H,5-8H2,1-4H3/t16-/m0/s1
InChIKeyQHVRGHSJLIPDHK-INIZCTEOSA-N
XLogP3.87
TPSA33.95 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.46
LogP ≤ 53.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-[(2S)-1-[(3-methyl-1-propan-2-ylpyrazol-4-yl)methyl]pyrrolidin-2-yl]-1,3-thiazole?
The IUPAC name of 2-methyl-4-[(2S)-1-[(3-methyl-1-propan-2-ylpyrazol-4-yl)methyl]pyrrolidin-2-yl]-1,3-thiazole (CID 124889166) is 2-methyl-4-[(2S)-1-[(3-methyl-1-propan-2-ylpyrazol-4-yl)methyl]pyrrolidin-2-yl]-1,3-thiazole.
What is the SMILES notation for 2-methyl-4-[(2S)-1-[(3-methyl-1-propan-2-ylpyrazol-4-yl)methyl]pyrrolidin-2-yl]-1,3-thiazole?
The canonical SMILES for 2-methyl-4-[(2S)-1-[(3-methyl-1-propan-2-ylpyrazol-4-yl)methyl]pyrrolidin-2-yl]-1,3-thiazole is Cc1nc([C@@H]2CCCN2Cc2cn(C(C)C)nc2C)cs1.
What is the InChIKey of 2-methyl-4-[(2S)-1-[(3-methyl-1-propan-2-ylpyrazol-4-yl)methyl]pyrrolidin-2-yl]-1,3-thiazole?
The InChIKey is QHVRGHSJLIPDHK-INIZCTEOSA-N. The full InChI is InChI=1S/C16H24N4S/c1-11(2)20-9-14(12(3)18-20)8-19-7-5-6-16(19)15-10-21-13(4)17-15/h9-11,16H,5-8H2,1-4H3/t16-/m0/s1.
What are the key properties of 2-methyl-4-[(2S)-1-[(3-methyl-1-propan-2-ylpyrazol-4-yl)methyl]pyrrolidin-2-yl]-1,3-thiazole?
2-methyl-4-[(2S)-1-[(3-methyl-1-propan-2-ylpyrazol-4-yl)methyl]pyrrolidin-2-yl]-1,3-thiazole has a molecular weight of 304.46 g/mol, XLogP of 3.87, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-[(2S)-1-[(3-methyl-1-propan-2-ylpyrazol-4-yl)methyl]pyrrolidin-2-yl]-1,3-thiazole is sourced from PubChem (CID 124889166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).