5-[[2-[4-(cyclopropylmethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]methyl]-4-methyl-1,3-thiazole

C16H23N5S — CID 87052198

IUPAC5-[[2-[4-(cyclopropylmethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]methyl]-4-methyl-1,3-thiazole
SMILESCc1ncsc1CN1CCCCC1c1nncn1CC1CC1
InChIInChI=1S/C16H23N5S/c1-12-15(22-11-17-12)9-20-7-3-2-4-14(20)16-19-18-10-21(16)8-13-5-6-13/h10-11,13-14H,2-9H2,1H3
InChIKeyADOIFBXCIVZKKQ-UHFFFAOYSA-N
MW317.46 g/mol
LogP3.18
Rot. Bonds5

About 5-[[2-[4-(cyclopropylmethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]methyl]-4-methyl-1,3-thiazole

5-[[2-[4-(cyclopropylmethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]methyl]-4-methyl-1,3-thiazole (PubChem CID 87052198) has the molecular formula C16H23N5S and a molecular weight of 317.46 g/mol. Its IUPAC name is 5-[[2-[4-(cyclopropylmethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]methyl]-4-methyl-1,3-thiazole.

Molecular Properties

Compound Name5-[[2-[4-(cyclopropylmethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]methyl]-4-methyl-1,3-thiazole
PubChem CID87052198
Molecular FormulaC16H23N5S
Molecular Weight317.46 g/mol
Exact Mass317.17
IUPAC Name5-[[2-[4-(cyclopropylmethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]methyl]-4-methyl-1,3-thiazole
SMILESCc1ncsc1CN1CCCCC1c1nncn1CC1CC1
InChIInChI=1S/C16H23N5S/c1-12-15(22-11-17-12)9-20-7-3-2-4-14(20)16-19-18-10-21(16)8-13-5-6-13/h10-11,13-14H,2-9H2,1H3
InChIKeyADOIFBXCIVZKKQ-UHFFFAOYSA-N
XLogP3.18
TPSA46.84 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.46
LogP ≤ 53.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-[[2-[4-(cyclopropylmethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]methyl]-4-methyl-1,3-thiazole?
The IUPAC name of 5-[[2-[4-(cyclopropylmethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]methyl]-4-methyl-1,3-thiazole (CID 87052198) is 5-[[2-[4-(cyclopropylmethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]methyl]-4-methyl-1,3-thiazole.
What is the SMILES notation for 5-[[2-[4-(cyclopropylmethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]methyl]-4-methyl-1,3-thiazole?
The canonical SMILES for 5-[[2-[4-(cyclopropylmethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]methyl]-4-methyl-1,3-thiazole is Cc1ncsc1CN1CCCCC1c1nncn1CC1CC1.
What is the InChIKey of 5-[[2-[4-(cyclopropylmethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]methyl]-4-methyl-1,3-thiazole?
The InChIKey is ADOIFBXCIVZKKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N5S/c1-12-15(22-11-17-12)9-20-7-3-2-4-14(20)16-19-18-10-21(16)8-13-5-6-13/h10-11,13-14H,2-9H2,1H3.
What are the key properties of 5-[[2-[4-(cyclopropylmethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]methyl]-4-methyl-1,3-thiazole?
5-[[2-[4-(cyclopropylmethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]methyl]-4-methyl-1,3-thiazole has a molecular weight of 317.46 g/mol, XLogP of 3.18, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[2-[4-(cyclopropylmethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]methyl]-4-methyl-1,3-thiazole is sourced from PubChem (CID 87052198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).