3-(4-methyl-1,3-thiazol-5-yl)-N-[(5-propyl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl)methyl]propanamide

C18H27N5OS — CID 70707572

IUPAC3-(4-methyl-1,3-thiazol-5-yl)-N-[(5-propyl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl)methyl]propanamide
SMILESCCCN1CCCn2nc(CNC(=O)CCc3scnc3C)cc2C1
InChIInChI=1S/C18H27N5OS/c1-3-7-22-8-4-9-23-16(12-22)10-15(21-23)11-19-18(24)6-5-17-14(2)20-13-25-17/h10,13H,3-9,11-12H2,1-2H3,(H,19,24)
InChIKeyRABWNDKUMWBZIM-UHFFFAOYSA-N
MW361.52 g/mol
LogP2.51
Rot. Bonds7

About 3-(4-methyl-1,3-thiazol-5-yl)-N-[(5-propyl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl)methyl]propanamide

3-(4-methyl-1,3-thiazol-5-yl)-N-[(5-propyl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl)methyl]propanamide (PubChem CID 70707572) has the molecular formula C18H27N5OS and a molecular weight of 361.52 g/mol. Its IUPAC name is 3-(4-methyl-1,3-thiazol-5-yl)-N-[(5-propyl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl)methyl]propanamide.

Molecular Properties

Compound Name3-(4-methyl-1,3-thiazol-5-yl)-N-[(5-propyl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl)methyl]propanamide
PubChem CID70707572
Molecular FormulaC18H27N5OS
Molecular Weight361.52 g/mol
Exact Mass361.19
IUPAC Name3-(4-methyl-1,3-thiazol-5-yl)-N-[(5-propyl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl)methyl]propanamide
SMILESCCCN1CCCn2nc(CNC(=O)CCc3scnc3C)cc2C1
InChIInChI=1S/C18H27N5OS/c1-3-7-22-8-4-9-23-16(12-22)10-15(21-23)11-19-18(24)6-5-17-14(2)20-13-25-17/h10,13H,3-9,11-12H2,1-2H3,(H,19,24)
InChIKeyRABWNDKUMWBZIM-UHFFFAOYSA-N
XLogP2.51
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.52
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 3-(4-methyl-1,3-thiazol-5-yl)-N-[(5-propyl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl)methyl]propanamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 3-(4-methyl-1,3-thiazol-5-yl)-N-[(5-propyl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl)methyl]propanamide?
The IUPAC name of 3-(4-methyl-1,3-thiazol-5-yl)-N-[(5-propyl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl)methyl]propanamide (CID 70707572) is 3-(4-methyl-1,3-thiazol-5-yl)-N-[(5-propyl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl)methyl]propanamide.
What is the SMILES notation for 3-(4-methyl-1,3-thiazol-5-yl)-N-[(5-propyl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl)methyl]propanamide?
The canonical SMILES for 3-(4-methyl-1,3-thiazol-5-yl)-N-[(5-propyl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl)methyl]propanamide is CCCN1CCCn2nc(CNC(=O)CCc3scnc3C)cc2C1.
What is the InChIKey of 3-(4-methyl-1,3-thiazol-5-yl)-N-[(5-propyl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl)methyl]propanamide?
The InChIKey is RABWNDKUMWBZIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N5OS/c1-3-7-22-8-4-9-23-16(12-22)10-15(21-23)11-19-18(24)6-5-17-14(2)20-13-25-17/h10,13H,3-9,11-12H2,1-2H3,(H,19,24).
What are the key properties of 3-(4-methyl-1,3-thiazol-5-yl)-N-[(5-propyl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl)methyl]propanamide?
3-(4-methyl-1,3-thiazol-5-yl)-N-[(5-propyl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl)methyl]propanamide has a molecular weight of 361.52 g/mol, XLogP of 2.51, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methyl-1,3-thiazol-5-yl)-N-[(5-propyl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl)methyl]propanamide is sourced from PubChem (CID 70707572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).