N-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)-4-(1,3-thiazol-2-yl)-1,4-diazepane-1-carboxamide

C17H24N6OS — CID 48510020

IUPACN-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)-4-(1,3-thiazol-2-yl)-1,4-diazepane-1-carboxamide
SMILESCn1ncc2c1CCCC2NC(=O)N1CCCN(c2nccs2)CC1
InChIInChI=1S/C17H24N6OS/c1-21-15-5-2-4-14(13(15)12-19-21)20-16(24)22-7-3-8-23(10-9-22)17-18-6-11-25-17/h6,11-12,14H,2-5,7-10H2,1H3,(H,20,24)
InChIKeyUFDZZHHFJZNTQS-UHFFFAOYSA-N
MW360.49 g/mol
LogP2.18
Rot. Bonds2

About N-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)-4-(1,3-thiazol-2-yl)-1,4-diazepane-1-carboxamide

N-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)-4-(1,3-thiazol-2-yl)-1,4-diazepane-1-carboxamide (PubChem CID 48510020) has the molecular formula C17H24N6OS and a molecular weight of 360.49 g/mol. Its IUPAC name is N-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)-4-(1,3-thiazol-2-yl)-1,4-diazepane-1-carboxamide.

Molecular Properties

Compound NameN-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)-4-(1,3-thiazol-2-yl)-1,4-diazepane-1-carboxamide
PubChem CID48510020
Molecular FormulaC17H24N6OS
Molecular Weight360.49 g/mol
Exact Mass360.17
IUPAC NameN-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)-4-(1,3-thiazol-2-yl)-1,4-diazepane-1-carboxamide
SMILESCn1ncc2c1CCCC2NC(=O)N1CCCN(c2nccs2)CC1
InChIInChI=1S/C17H24N6OS/c1-21-15-5-2-4-14(13(15)12-19-21)20-16(24)22-7-3-8-23(10-9-22)17-18-6-11-25-17/h6,11-12,14H,2-5,7-10H2,1H3,(H,20,24)
InChIKeyUFDZZHHFJZNTQS-UHFFFAOYSA-N
XLogP2.18
TPSA66.29 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.49
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

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1-amino-N-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)cyclopropane-1-carboxamide
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N-[(1-ethylpiperidin-2-yl)methyl]-4-(1,3-thiazol-2-yl)-1,4-diazepane-1-carboxamide
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cyclopropyl-[4-(1,3-thiazol-2-yl)piperazin-1-yl]methanone
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3-amino-3-methyl-N-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)butanamide
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N-[(1S,8aR)-1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl]-4-(1,3-thiazol-2-yl)piperazine-1-carboxamide
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Frequently Asked Questions

What is the IUPAC name of N-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)-4-(1,3-thiazol-2-yl)-1,4-diazepane-1-carboxamide?
The IUPAC name of N-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)-4-(1,3-thiazol-2-yl)-1,4-diazepane-1-carboxamide (CID 48510020) is N-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)-4-(1,3-thiazol-2-yl)-1,4-diazepane-1-carboxamide.
What is the SMILES notation for N-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)-4-(1,3-thiazol-2-yl)-1,4-diazepane-1-carboxamide?
The canonical SMILES for N-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)-4-(1,3-thiazol-2-yl)-1,4-diazepane-1-carboxamide is Cn1ncc2c1CCCC2NC(=O)N1CCCN(c2nccs2)CC1.
What is the InChIKey of N-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)-4-(1,3-thiazol-2-yl)-1,4-diazepane-1-carboxamide?
The InChIKey is UFDZZHHFJZNTQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N6OS/c1-21-15-5-2-4-14(13(15)12-19-21)20-16(24)22-7-3-8-23(10-9-22)17-18-6-11-25-17/h6,11-12,14H,2-5,7-10H2,1H3,(H,20,24).
What are the key properties of N-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)-4-(1,3-thiazol-2-yl)-1,4-diazepane-1-carboxamide?
N-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)-4-(1,3-thiazol-2-yl)-1,4-diazepane-1-carboxamide has a molecular weight of 360.49 g/mol, XLogP of 2.18, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)-4-(1,3-thiazol-2-yl)-1,4-diazepane-1-carboxamide is sourced from PubChem (CID 48510020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).