N-(cyclopentylideneamino)-4-(3-methylazulen-1-yl)-1,3-thiazol-2-amine

C19H19N3S — CID 11404462

IUPACN-(cyclopentylideneamino)-4-(3-methylazulen-1-yl)-1,3-thiazol-2-amine
SMILESCc1cc(-c2csc(NN=C3CCCC3)n2)c2cccccc1-2
InChIInChI=1S/C19H19N3S/c1-13-11-17(16-10-4-2-3-9-15(13)16)18-12-23-19(20-18)22-21-14-7-5-6-8-14/h2-4,9-12H,5-8H2,1H3,(H,20,22)
InChIKeyUKVWGMUFSYPOFF-UHFFFAOYSA-N
MW321.45 g/mol
LogP5.57
Rot. Bonds3

About N-(cyclopentylideneamino)-4-(3-methylazulen-1-yl)-1,3-thiazol-2-amine

N-(cyclopentylideneamino)-4-(3-methylazulen-1-yl)-1,3-thiazol-2-amine (PubChem CID 11404462) has the molecular formula C19H19N3S and a molecular weight of 321.45 g/mol. Its IUPAC name is N-(cyclopentylideneamino)-4-(3-methylazulen-1-yl)-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-(cyclopentylideneamino)-4-(3-methylazulen-1-yl)-1,3-thiazol-2-amine
PubChem CID11404462
Molecular FormulaC19H19N3S
Molecular Weight321.45 g/mol
Exact Mass321.13
IUPAC NameN-(cyclopentylideneamino)-4-(3-methylazulen-1-yl)-1,3-thiazol-2-amine
SMILESCc1cc(-c2csc(NN=C3CCCC3)n2)c2cccccc1-2
InChIInChI=1S/C19H19N3S/c1-13-11-17(16-10-4-2-3-9-15(13)16)18-12-23-19(20-18)22-21-14-7-5-6-8-14/h2-4,9-12H,5-8H2,1H3,(H,20,22)
InChIKeyUKVWGMUFSYPOFF-UHFFFAOYSA-N
XLogP5.57
TPSA37.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500321.45
LogP ≤ 55.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-methyl-4-(3-methylazulen-1-yl)-1,3-thiazol-2-amine
CID 11436742
N-[(E)-benzylideneamino]-4-(3-methylazulen-1-yl)-1,3-thiazol-2-amine
CID 11393768
3-[2-(2-cyclohexylidenehydrazinyl)-1,3-thiazol-4-yl]chromen-2-one
CID 2851169
N-[(E)-(4-methylcycloheptylidene)amino]-4-phenyl-1,3-thiazol-2-amine
CID 11820967
N-[(4-methylcyclohexylidene)amino]-4-(4-methylphenyl)-1,3-thiazol-2-amine
CID 19133250
N-[[(7aR)-4-methyl-1,2,3,6,7,7a-hexahydroinden-5-ylidene]amino]-4-phenyl-1,3-thiazol-2-amine
CID 6923298
4-(2,4-difluorophenyl)-N-[(E)-[(3R)-3-methylcyclopentylidene]amino]-1,3-thiazol-2-amine
CID 90656446
4-(4-chlorophenyl)-N-[(Z)-(3-methylcyclohexylidene)amino]-1,3-thiazol-2-amine
CID 25193525
4-(4-chlorophenyl)-N-[(E)-(2-methylcyclohexylidene)amino]-1,3-thiazol-2-amine
CID 52949315
2-[2-[(2E)-2-(2,3-dihydrochromen-4-ylidene)hydrazinyl]-1,3-thiazol-4-yl]-5-methoxyphenol
CID 117071560
2,6-dichloro-N-[4-(2-methylphenyl)-1,3-thiazol-2-yl]pyridine-4-carboxamide
CID 78868970
methyl 3-[2-(methylamino)-1,3-thiazol-4-yl]azulene-1-carboxylate
CID 11254998

Frequently Asked Questions

What is the IUPAC name of N-(cyclopentylideneamino)-4-(3-methylazulen-1-yl)-1,3-thiazol-2-amine?
The IUPAC name of N-(cyclopentylideneamino)-4-(3-methylazulen-1-yl)-1,3-thiazol-2-amine (CID 11404462) is N-(cyclopentylideneamino)-4-(3-methylazulen-1-yl)-1,3-thiazol-2-amine.
What is the SMILES notation for N-(cyclopentylideneamino)-4-(3-methylazulen-1-yl)-1,3-thiazol-2-amine?
The canonical SMILES for N-(cyclopentylideneamino)-4-(3-methylazulen-1-yl)-1,3-thiazol-2-amine is Cc1cc(-c2csc(NN=C3CCCC3)n2)c2cccccc1-2.
What is the InChIKey of N-(cyclopentylideneamino)-4-(3-methylazulen-1-yl)-1,3-thiazol-2-amine?
The InChIKey is UKVWGMUFSYPOFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3S/c1-13-11-17(16-10-4-2-3-9-15(13)16)18-12-23-19(20-18)22-21-14-7-5-6-8-14/h2-4,9-12H,5-8H2,1H3,(H,20,22).
What are the key properties of N-(cyclopentylideneamino)-4-(3-methylazulen-1-yl)-1,3-thiazol-2-amine?
N-(cyclopentylideneamino)-4-(3-methylazulen-1-yl)-1,3-thiazol-2-amine has a molecular weight of 321.45 g/mol, XLogP of 5.57, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopentylideneamino)-4-(3-methylazulen-1-yl)-1,3-thiazol-2-amine is sourced from PubChem (CID 11404462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).