N-cyclopropyl-N-[4-[[[(4S)-2-methyl-4,5,6,7-tetrahydroindazol-4-yl]amino]methyl]-1,3-thiazol-2-yl]acetamide

C17H23N5OS — CID 164633740

IUPACN-cyclopropyl-N-[4-[[[(4S)-2-methyl-4,5,6,7-tetrahydroindazol-4-yl]amino]methyl]-1,3-thiazol-2-yl]acetamide
SMILESCC(=O)N(c1nc(CN[C@H]2CCCc3nn(C)cc32)cs1)C1CC1
InChIInChI=1S/C17H23N5OS/c1-11(23)22(13-6-7-13)17-19-12(10-24-17)8-18-15-4-3-5-16-14(15)9-21(2)20-16/h9-10,13,15,18H,3-8H2,1-2H3/t15-/m0/s1
InChIKeyFMAZJGDVGVMBJV-HNNXBMFYSA-N
MW345.47 g/mol
LogP2.56
Rot. Bonds5

About N-cyclopropyl-N-[4-[[[(4S)-2-methyl-4,5,6,7-tetrahydroindazol-4-yl]amino]methyl]-1,3-thiazol-2-yl]acetamide

N-cyclopropyl-N-[4-[[[(4S)-2-methyl-4,5,6,7-tetrahydroindazol-4-yl]amino]methyl]-1,3-thiazol-2-yl]acetamide (PubChem CID 164633740) has the molecular formula C17H23N5OS and a molecular weight of 345.47 g/mol. Its IUPAC name is N-cyclopropyl-N-[4-[[[(4S)-2-methyl-4,5,6,7-tetrahydroindazol-4-yl]amino]methyl]-1,3-thiazol-2-yl]acetamide.

Molecular Properties

Compound NameN-cyclopropyl-N-[4-[[[(4S)-2-methyl-4,5,6,7-tetrahydroindazol-4-yl]amino]methyl]-1,3-thiazol-2-yl]acetamide
PubChem CID164633740
Molecular FormulaC17H23N5OS
Molecular Weight345.47 g/mol
Exact Mass345.16
IUPAC NameN-cyclopropyl-N-[4-[[[(4S)-2-methyl-4,5,6,7-tetrahydroindazol-4-yl]amino]methyl]-1,3-thiazol-2-yl]acetamide
SMILESCC(=O)N(c1nc(CN[C@H]2CCCc3nn(C)cc32)cs1)C1CC1
InChIInChI=1S/C17H23N5OS/c1-11(23)22(13-6-7-13)17-19-12(10-24-17)8-18-15-4-3-5-16-14(15)9-21(2)20-16/h9-10,13,15,18H,3-8H2,1-2H3/t15-/m0/s1
InChIKeyFMAZJGDVGVMBJV-HNNXBMFYSA-N
XLogP2.56
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.47
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-N-[4-[[[(4S)-2-methyl-4,5,6,7-tetrahydroindazol-4-yl]amino]methyl]-1,3-thiazol-2-yl]acetamide?
The IUPAC name of N-cyclopropyl-N-[4-[[[(4S)-2-methyl-4,5,6,7-tetrahydroindazol-4-yl]amino]methyl]-1,3-thiazol-2-yl]acetamide (CID 164633740) is N-cyclopropyl-N-[4-[[[(4S)-2-methyl-4,5,6,7-tetrahydroindazol-4-yl]amino]methyl]-1,3-thiazol-2-yl]acetamide.
What is the SMILES notation for N-cyclopropyl-N-[4-[[[(4S)-2-methyl-4,5,6,7-tetrahydroindazol-4-yl]amino]methyl]-1,3-thiazol-2-yl]acetamide?
The canonical SMILES for N-cyclopropyl-N-[4-[[[(4S)-2-methyl-4,5,6,7-tetrahydroindazol-4-yl]amino]methyl]-1,3-thiazol-2-yl]acetamide is CC(=O)N(c1nc(CN[C@H]2CCCc3nn(C)cc32)cs1)C1CC1.
What is the InChIKey of N-cyclopropyl-N-[4-[[[(4S)-2-methyl-4,5,6,7-tetrahydroindazol-4-yl]amino]methyl]-1,3-thiazol-2-yl]acetamide?
The InChIKey is FMAZJGDVGVMBJV-HNNXBMFYSA-N. The full InChI is InChI=1S/C17H23N5OS/c1-11(23)22(13-6-7-13)17-19-12(10-24-17)8-18-15-4-3-5-16-14(15)9-21(2)20-16/h9-10,13,15,18H,3-8H2,1-2H3/t15-/m0/s1.
What are the key properties of N-cyclopropyl-N-[4-[[[(4S)-2-methyl-4,5,6,7-tetrahydroindazol-4-yl]amino]methyl]-1,3-thiazol-2-yl]acetamide?
N-cyclopropyl-N-[4-[[[(4S)-2-methyl-4,5,6,7-tetrahydroindazol-4-yl]amino]methyl]-1,3-thiazol-2-yl]acetamide has a molecular weight of 345.47 g/mol, XLogP of 2.56, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-N-[4-[[[(4S)-2-methyl-4,5,6,7-tetrahydroindazol-4-yl]amino]methyl]-1,3-thiazol-2-yl]acetamide is sourced from PubChem (CID 164633740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).