N-(4,5,6,7,8,9-hexahydrocycloocta[d][1,3]thiazol-2-yl)-4-(1,2,4-triazol-1-yl)butanamide

C15H21N5OS — CID 134699390

IUPACN-(4,5,6,7,8,9-hexahydrocycloocta[d][1,3]thiazol-2-yl)-4-(1,2,4-triazol-1-yl)butanamide
SMILESO=C(CCCn1cncn1)Nc1nc2c(s1)CCCCCC2
InChIInChI=1S/C15H21N5OS/c21-14(8-5-9-20-11-16-10-17-20)19-15-18-12-6-3-1-2-4-7-13(12)22-15/h10-11H,1-9H2,(H,18,19,21)
InChIKeyHZLWSVSDINZYAM-UHFFFAOYSA-N
MW319.43 g/mol
LogP2.81
Rot. Bonds5

About N-(4,5,6,7,8,9-hexahydrocycloocta[d][1,3]thiazol-2-yl)-4-(1,2,4-triazol-1-yl)butanamide

N-(4,5,6,7,8,9-hexahydrocycloocta[d][1,3]thiazol-2-yl)-4-(1,2,4-triazol-1-yl)butanamide (PubChem CID 134699390) has the molecular formula C15H21N5OS and a molecular weight of 319.43 g/mol. Its IUPAC name is N-(4,5,6,7,8,9-hexahydrocycloocta[d][1,3]thiazol-2-yl)-4-(1,2,4-triazol-1-yl)butanamide.

Molecular Properties

Compound NameN-(4,5,6,7,8,9-hexahydrocycloocta[d][1,3]thiazol-2-yl)-4-(1,2,4-triazol-1-yl)butanamide
PubChem CID134699390
Molecular FormulaC15H21N5OS
Molecular Weight319.43 g/mol
Exact Mass319.15
IUPAC NameN-(4,5,6,7,8,9-hexahydrocycloocta[d][1,3]thiazol-2-yl)-4-(1,2,4-triazol-1-yl)butanamide
SMILESO=C(CCCn1cncn1)Nc1nc2c(s1)CCCCCC2
InChIInChI=1S/C15H21N5OS/c21-14(8-5-9-20-11-16-10-17-20)19-15-18-12-6-3-1-2-4-7-13(12)22-15/h10-11H,1-9H2,(H,18,19,21)
InChIKeyHZLWSVSDINZYAM-UHFFFAOYSA-N
XLogP2.81
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.43
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(4,5,6,7,8,9-hexahydrocycloocta[d][1,3]thiazol-2-yl)-3-(1,2,4-triazol-1-yl)propanamide
CID 47071312
(2S)-N-(4,5,6,7,8,9-hexahydrocycloocta[d][1,3]thiazol-2-yl)-2-methyl-3-(1,2,4-triazol-1-yl)propanamide
CID 51592077
N-(4,5,6,7,8,9-hexahydrocycloocta[d][1,3]thiazol-2-yl)-4-(methylamino)butanamide
CID 119743801
N-(4,5,6,7,8,9-hexahydrocycloocta[d][1,3]thiazol-2-yl)-3-(4-methylpyrazol-1-yl)propanamide
CID 86832668
N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)pentanamide
CID 33039661
3-amino-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)propanamide;hydrochloride
CID 82034009
(2R)-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-2-(1,2,4-triazol-1-yl)propanamide
CID 37072032
3-cyclohexyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)propanamide
CID 3626009
3-pyridin-3-yl-N-(5,6,7,8-tetrahydro-4H-cyclohepta[d][1,3]thiazol-2-yl)propanamide
CID 24611789
N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-4-thiophen-2-ylbutanamide
CID 2998856
N-(4,5,6,7,8,9,10,11,12,13-decahydrocyclododeca[d][1,3]thiazol-2-yl)acetamide
CID 930096
3-(3-methyl-2-oxobenzimidazol-1-yl)-N-(5,6,7,8-tetrahydro-4H-cyclohepta[d][1,3]thiazol-2-yl)propanamide
CID 24604003

Frequently Asked Questions

What is the IUPAC name of N-(4,5,6,7,8,9-hexahydrocycloocta[d][1,3]thiazol-2-yl)-4-(1,2,4-triazol-1-yl)butanamide?
The IUPAC name of N-(4,5,6,7,8,9-hexahydrocycloocta[d][1,3]thiazol-2-yl)-4-(1,2,4-triazol-1-yl)butanamide (CID 134699390) is N-(4,5,6,7,8,9-hexahydrocycloocta[d][1,3]thiazol-2-yl)-4-(1,2,4-triazol-1-yl)butanamide.
What is the SMILES notation for N-(4,5,6,7,8,9-hexahydrocycloocta[d][1,3]thiazol-2-yl)-4-(1,2,4-triazol-1-yl)butanamide?
The canonical SMILES for N-(4,5,6,7,8,9-hexahydrocycloocta[d][1,3]thiazol-2-yl)-4-(1,2,4-triazol-1-yl)butanamide is O=C(CCCn1cncn1)Nc1nc2c(s1)CCCCCC2.
What is the InChIKey of N-(4,5,6,7,8,9-hexahydrocycloocta[d][1,3]thiazol-2-yl)-4-(1,2,4-triazol-1-yl)butanamide?
The InChIKey is HZLWSVSDINZYAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N5OS/c21-14(8-5-9-20-11-16-10-17-20)19-15-18-12-6-3-1-2-4-7-13(12)22-15/h10-11H,1-9H2,(H,18,19,21).
What are the key properties of N-(4,5,6,7,8,9-hexahydrocycloocta[d][1,3]thiazol-2-yl)-4-(1,2,4-triazol-1-yl)butanamide?
N-(4,5,6,7,8,9-hexahydrocycloocta[d][1,3]thiazol-2-yl)-4-(1,2,4-triazol-1-yl)butanamide has a molecular weight of 319.43 g/mol, XLogP of 2.81, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4,5,6,7,8,9-hexahydrocycloocta[d][1,3]thiazol-2-yl)-4-(1,2,4-triazol-1-yl)butanamide is sourced from PubChem (CID 134699390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).