2-[(2S)-1-(1H-indazol-6-ylmethyl)pyrrolidin-2-yl]-4-methyl-1,3-thiazole

C16H18N4S — CID 164643158

IUPAC2-[(2S)-1-(1H-indazol-6-ylmethyl)pyrrolidin-2-yl]-4-methyl-1,3-thiazole
SMILESCc1csc([C@@H]2CCCN2Cc2ccc3cn[nH]c3c2)n1
InChIInChI=1S/C16H18N4S/c1-11-10-21-16(18-11)15-3-2-6-20(15)9-12-4-5-13-8-17-19-14(13)7-12/h4-5,7-8,10,15H,2-3,6,9H2,1H3,(H,17,19)/t15-/m0/s1
InChIKeyXCCIGYHJEWVZQY-HNNXBMFYSA-N
MW298.42 g/mol
LogP3.66
Rot. Bonds3

About 2-[(2S)-1-(1H-indazol-6-ylmethyl)pyrrolidin-2-yl]-4-methyl-1,3-thiazole

2-[(2S)-1-(1H-indazol-6-ylmethyl)pyrrolidin-2-yl]-4-methyl-1,3-thiazole (PubChem CID 164643158) has the molecular formula C16H18N4S and a molecular weight of 298.42 g/mol. Its IUPAC name is 2-[(2S)-1-(1H-indazol-6-ylmethyl)pyrrolidin-2-yl]-4-methyl-1,3-thiazole.

Molecular Properties

Compound Name2-[(2S)-1-(1H-indazol-6-ylmethyl)pyrrolidin-2-yl]-4-methyl-1,3-thiazole
PubChem CID164643158
Molecular FormulaC16H18N4S
Molecular Weight298.42 g/mol
Exact Mass298.13
IUPAC Name2-[(2S)-1-(1H-indazol-6-ylmethyl)pyrrolidin-2-yl]-4-methyl-1,3-thiazole
SMILESCc1csc([C@@H]2CCCN2Cc2ccc3cn[nH]c3c2)n1
InChIInChI=1S/C16H18N4S/c1-11-10-21-16(18-11)15-3-2-6-20(15)9-12-4-5-13-8-17-19-14(13)7-12/h4-5,7-8,10,15H,2-3,6,9H2,1H3,(H,17,19)/t15-/m0/s1
InChIKeyXCCIGYHJEWVZQY-HNNXBMFYSA-N
XLogP3.66
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.42
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(2S)-1-(1H-indazol-6-ylmethyl)pyrrolidin-2-yl]-4-methyl-1,3-thiazole?
The IUPAC name of 2-[(2S)-1-(1H-indazol-6-ylmethyl)pyrrolidin-2-yl]-4-methyl-1,3-thiazole (CID 164643158) is 2-[(2S)-1-(1H-indazol-6-ylmethyl)pyrrolidin-2-yl]-4-methyl-1,3-thiazole.
What is the SMILES notation for 2-[(2S)-1-(1H-indazol-6-ylmethyl)pyrrolidin-2-yl]-4-methyl-1,3-thiazole?
The canonical SMILES for 2-[(2S)-1-(1H-indazol-6-ylmethyl)pyrrolidin-2-yl]-4-methyl-1,3-thiazole is Cc1csc([C@@H]2CCCN2Cc2ccc3cn[nH]c3c2)n1.
What is the InChIKey of 2-[(2S)-1-(1H-indazol-6-ylmethyl)pyrrolidin-2-yl]-4-methyl-1,3-thiazole?
The InChIKey is XCCIGYHJEWVZQY-HNNXBMFYSA-N. The full InChI is InChI=1S/C16H18N4S/c1-11-10-21-16(18-11)15-3-2-6-20(15)9-12-4-5-13-8-17-19-14(13)7-12/h4-5,7-8,10,15H,2-3,6,9H2,1H3,(H,17,19)/t15-/m0/s1.
What are the key properties of 2-[(2S)-1-(1H-indazol-6-ylmethyl)pyrrolidin-2-yl]-4-methyl-1,3-thiazole?
2-[(2S)-1-(1H-indazol-6-ylmethyl)pyrrolidin-2-yl]-4-methyl-1,3-thiazole has a molecular weight of 298.42 g/mol, XLogP of 3.66, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2S)-1-(1H-indazol-6-ylmethyl)pyrrolidin-2-yl]-4-methyl-1,3-thiazole is sourced from PubChem (CID 164643158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).