N-[3-[4-cyclopropyl-5-(hydroxymethyl)-1,2,4-triazol-3-yl]cyclobutyl]-2-propyl-1,3-thiazole-4-carboxamide

C17H23N5O2S — CID 91768329

IUPACN-[3-[4-cyclopropyl-5-(hydroxymethyl)-1,2,4-triazol-3-yl]cyclobutyl]-2-propyl-1,3-thiazole-4-carboxamide
SMILESCCCc1nc(C(=O)NC2CC(c3nnc(CO)n3C3CC3)C2)cs1
InChIInChI=1S/C17H23N5O2S/c1-2-3-15-19-13(9-25-15)17(24)18-11-6-10(7-11)16-21-20-14(8-23)22(16)12-4-5-12/h9-12,23H,2-8H2,1H3,(H,18,24)
InChIKeyMBIUEJUWFBWACJ-UHFFFAOYSA-N
MW361.47 g/mol
LogP2.19
Rot. Bonds7

About N-[3-[4-cyclopropyl-5-(hydroxymethyl)-1,2,4-triazol-3-yl]cyclobutyl]-2-propyl-1,3-thiazole-4-carboxamide

N-[3-[4-cyclopropyl-5-(hydroxymethyl)-1,2,4-triazol-3-yl]cyclobutyl]-2-propyl-1,3-thiazole-4-carboxamide (PubChem CID 91768329) has the molecular formula C17H23N5O2S and a molecular weight of 361.47 g/mol. Its IUPAC name is N-[3-[4-cyclopropyl-5-(hydroxymethyl)-1,2,4-triazol-3-yl]cyclobutyl]-2-propyl-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-[3-[4-cyclopropyl-5-(hydroxymethyl)-1,2,4-triazol-3-yl]cyclobutyl]-2-propyl-1,3-thiazole-4-carboxamide
PubChem CID91768329
Molecular FormulaC17H23N5O2S
Molecular Weight361.47 g/mol
Exact Mass361.16
IUPAC NameN-[3-[4-cyclopropyl-5-(hydroxymethyl)-1,2,4-triazol-3-yl]cyclobutyl]-2-propyl-1,3-thiazole-4-carboxamide
SMILESCCCc1nc(C(=O)NC2CC(c3nnc(CO)n3C3CC3)C2)cs1
InChIInChI=1S/C17H23N5O2S/c1-2-3-15-19-13(9-25-15)17(24)18-11-6-10(7-11)16-21-20-14(8-23)22(16)12-4-5-12/h9-12,23H,2-8H2,1H3,(H,18,24)
InChIKeyMBIUEJUWFBWACJ-UHFFFAOYSA-N
XLogP2.19
TPSA92.93 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.47
LogP ≤ 52.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[3-[4-cyclopropyl-5-(hydroxymethyl)-1,2,4-triazol-3-yl]cyclobutyl]-2-propyl-1,3-thiazole-4-carboxamide?
The IUPAC name of N-[3-[4-cyclopropyl-5-(hydroxymethyl)-1,2,4-triazol-3-yl]cyclobutyl]-2-propyl-1,3-thiazole-4-carboxamide (CID 91768329) is N-[3-[4-cyclopropyl-5-(hydroxymethyl)-1,2,4-triazol-3-yl]cyclobutyl]-2-propyl-1,3-thiazole-4-carboxamide.
What is the SMILES notation for N-[3-[4-cyclopropyl-5-(hydroxymethyl)-1,2,4-triazol-3-yl]cyclobutyl]-2-propyl-1,3-thiazole-4-carboxamide?
The canonical SMILES for N-[3-[4-cyclopropyl-5-(hydroxymethyl)-1,2,4-triazol-3-yl]cyclobutyl]-2-propyl-1,3-thiazole-4-carboxamide is CCCc1nc(C(=O)NC2CC(c3nnc(CO)n3C3CC3)C2)cs1.
What is the InChIKey of N-[3-[4-cyclopropyl-5-(hydroxymethyl)-1,2,4-triazol-3-yl]cyclobutyl]-2-propyl-1,3-thiazole-4-carboxamide?
The InChIKey is MBIUEJUWFBWACJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N5O2S/c1-2-3-15-19-13(9-25-15)17(24)18-11-6-10(7-11)16-21-20-14(8-23)22(16)12-4-5-12/h9-12,23H,2-8H2,1H3,(H,18,24).
What are the key properties of N-[3-[4-cyclopropyl-5-(hydroxymethyl)-1,2,4-triazol-3-yl]cyclobutyl]-2-propyl-1,3-thiazole-4-carboxamide?
N-[3-[4-cyclopropyl-5-(hydroxymethyl)-1,2,4-triazol-3-yl]cyclobutyl]-2-propyl-1,3-thiazole-4-carboxamide has a molecular weight of 361.47 g/mol, XLogP of 2.19, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[4-cyclopropyl-5-(hydroxymethyl)-1,2,4-triazol-3-yl]cyclobutyl]-2-propyl-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 91768329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).