N-[4-(2,2-dimethyl-1,3-dihydroinden-4-yl)but-1-en-2-yl]-5,6,7,8-tetrahydro-4H-cyclohepta[d][1,3]thiazol-2-amine

C23H30N2S — CID 153359552

IUPACN-[4-(2,2-dimethyl-1,3-dihydroinden-4-yl)but-1-en-2-yl]-5,6,7,8-tetrahydro-4H-cyclohepta[d][1,3]thiazol-2-amine
SMILESC=C(CCc1cccc2c1CC(C)(C)C2)Nc1nc2c(s1)CCCCC2
InChIInChI=1S/C23H30N2S/c1-16(24-22-25-20-10-5-4-6-11-21(20)26-22)12-13-17-8-7-9-18-14-23(2,3)15-19(17)18/h7-9H,1,4-6,10-15H2,2-3H3,(H,24,25)
InChIKeyAOGTWZFXTODJSY-UHFFFAOYSA-N
MW366.57 g/mol
LogP6.10
Rot. Bonds5

About N-[4-(2,2-dimethyl-1,3-dihydroinden-4-yl)but-1-en-2-yl]-5,6,7,8-tetrahydro-4H-cyclohepta[d][1,3]thiazol-2-amine

N-[4-(2,2-dimethyl-1,3-dihydroinden-4-yl)but-1-en-2-yl]-5,6,7,8-tetrahydro-4H-cyclohepta[d][1,3]thiazol-2-amine (PubChem CID 153359552) has the molecular formula C23H30N2S and a molecular weight of 366.57 g/mol. Its IUPAC name is N-[4-(2,2-dimethyl-1,3-dihydroinden-4-yl)but-1-en-2-yl]-5,6,7,8-tetrahydro-4H-cyclohepta[d][1,3]thiazol-2-amine.

Molecular Properties

Compound NameN-[4-(2,2-dimethyl-1,3-dihydroinden-4-yl)but-1-en-2-yl]-5,6,7,8-tetrahydro-4H-cyclohepta[d][1,3]thiazol-2-amine
PubChem CID153359552
Molecular FormulaC23H30N2S
Molecular Weight366.57 g/mol
Exact Mass366.21
IUPAC NameN-[4-(2,2-dimethyl-1,3-dihydroinden-4-yl)but-1-en-2-yl]-5,6,7,8-tetrahydro-4H-cyclohepta[d][1,3]thiazol-2-amine
SMILESC=C(CCc1cccc2c1CC(C)(C)C2)Nc1nc2c(s1)CCCCC2
InChIInChI=1S/C23H30N2S/c1-16(24-22-25-20-10-5-4-6-11-21(20)26-22)12-13-17-8-7-9-18-14-23(2,3)15-19(17)18/h7-9H,1,4-6,10-15H2,2-3H3,(H,24,25)
InChIKeyAOGTWZFXTODJSY-UHFFFAOYSA-N
XLogP6.10
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500366.57
LogP ≤ 56.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[4-(2,2-dimethyl-1,3-dihydroinden-4-yl)but-1-en-2-yl]-5,6,7,8-tetrahydro-4H-cyclohepta[d][1,3]thiazol-2-amine with MolForge

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Related Compounds

N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-3-(2-hydroxyphenyl)propanamide
CID 33039912
N-(4,5,6,7,8,9,10,11,12,13-decahydrocyclododeca[d][1,3]thiazol-2-yl)acetamide
CID 930096
2-(2-methylphenyl)-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide
CID 6466381
3-(2,6-difluorophenyl)-N-(5,6,7,8-tetrahydro-4H-cyclohepta[d][1,3]thiazol-2-yl)propanamide
CID 55652063
2-(3-bromo-2-fluorophenyl)-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide
CID 146022567
2-naphthalen-1-yl-N-[2-oxo-2-(5,6,7,8-tetrahydro-4H-cyclohepta[d][1,3]thiazol-2-ylamino)ethyl]acetamide
CID 16606453
4-(aminomethyl)-N-(4,5,6,7,8,9-hexahydrocycloocta[d][1,3]thiazol-2-yl)benzamide;hydrochloride
CID 119300560
N-(4,5,6,7,8,9-hexahydrocycloocta[d][1,3]thiazol-2-yl)-2-methoxyacetamide
CID 47379488
1-[(2-fluorophenyl)methyl]-1-methyl-3-(5,6,7,8-tetrahydro-4H-cyclohepta[d][1,3]thiazol-2-yl)urea
CID 112825177
3-pyridin-3-yl-N-(5,6,7,8-tetrahydro-4H-cyclohepta[d][1,3]thiazol-2-yl)propanamide
CID 24611789
2-amino-N-(4,5,6,7,8,9-hexahydrocycloocta[d][1,3]thiazol-2-yl)-2-phenylacetamide;hydrochloride
CID 119300564
N'-methyl-N'-(naphthalen-1-ylmethyl)-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)oxamide
CID 167772423

Frequently Asked Questions

What is the IUPAC name of N-[4-(2,2-dimethyl-1,3-dihydroinden-4-yl)but-1-en-2-yl]-5,6,7,8-tetrahydro-4H-cyclohepta[d][1,3]thiazol-2-amine?
The IUPAC name of N-[4-(2,2-dimethyl-1,3-dihydroinden-4-yl)but-1-en-2-yl]-5,6,7,8-tetrahydro-4H-cyclohepta[d][1,3]thiazol-2-amine (CID 153359552) is N-[4-(2,2-dimethyl-1,3-dihydroinden-4-yl)but-1-en-2-yl]-5,6,7,8-tetrahydro-4H-cyclohepta[d][1,3]thiazol-2-amine.
What is the SMILES notation for N-[4-(2,2-dimethyl-1,3-dihydroinden-4-yl)but-1-en-2-yl]-5,6,7,8-tetrahydro-4H-cyclohepta[d][1,3]thiazol-2-amine?
The canonical SMILES for N-[4-(2,2-dimethyl-1,3-dihydroinden-4-yl)but-1-en-2-yl]-5,6,7,8-tetrahydro-4H-cyclohepta[d][1,3]thiazol-2-amine is C=C(CCc1cccc2c1CC(C)(C)C2)Nc1nc2c(s1)CCCCC2.
What is the InChIKey of N-[4-(2,2-dimethyl-1,3-dihydroinden-4-yl)but-1-en-2-yl]-5,6,7,8-tetrahydro-4H-cyclohepta[d][1,3]thiazol-2-amine?
The InChIKey is AOGTWZFXTODJSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N2S/c1-16(24-22-25-20-10-5-4-6-11-21(20)26-22)12-13-17-8-7-9-18-14-23(2,3)15-19(17)18/h7-9H,1,4-6,10-15H2,2-3H3,(H,24,25).
What are the key properties of N-[4-(2,2-dimethyl-1,3-dihydroinden-4-yl)but-1-en-2-yl]-5,6,7,8-tetrahydro-4H-cyclohepta[d][1,3]thiazol-2-amine?
N-[4-(2,2-dimethyl-1,3-dihydroinden-4-yl)but-1-en-2-yl]-5,6,7,8-tetrahydro-4H-cyclohepta[d][1,3]thiazol-2-amine has a molecular weight of 366.57 g/mol, XLogP of 6.10, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2,2-dimethyl-1,3-dihydroinden-4-yl)but-1-en-2-yl]-5,6,7,8-tetrahydro-4H-cyclohepta[d][1,3]thiazol-2-amine is sourced from PubChem (CID 153359552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).