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

C15H17N3OS — CID 25193423

IUPACN-(cyclopentylideneamino)-4-(4-methoxyphenyl)-1,3-thiazol-2-amine
SMILESCOc1ccc(-c2csc(NN=C3CCCC3)n2)cc1
InChIInChI=1S/C15H17N3OS/c1-19-13-8-6-11(7-9-13)14-10-20-15(16-14)18-17-12-4-2-3-5-12/h6-10H,2-5H2,1H3,(H,16,18)
InChIKeyXHYZSHVRUWFCNJ-UHFFFAOYSA-N
MW287.39 g/mol
LogP4.16
Rot. Bonds4

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

N-(cyclopentylideneamino)-4-(4-methoxyphenyl)-1,3-thiazol-2-amine (PubChem CID 25193423) has the molecular formula C15H17N3OS and a molecular weight of 287.39 g/mol. Its IUPAC name is N-(cyclopentylideneamino)-4-(4-methoxyphenyl)-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-(cyclopentylideneamino)-4-(4-methoxyphenyl)-1,3-thiazol-2-amine
PubChem CID25193423
Molecular FormulaC15H17N3OS
Molecular Weight287.39 g/mol
Exact Mass287.11
IUPAC NameN-(cyclopentylideneamino)-4-(4-methoxyphenyl)-1,3-thiazol-2-amine
SMILESCOc1ccc(-c2csc(NN=C3CCCC3)n2)cc1
InChIInChI=1S/C15H17N3OS/c1-19-13-8-6-11(7-9-13)14-10-20-15(16-14)18-17-12-4-2-3-5-12/h6-10H,2-5H2,1H3,(H,16,18)
InChIKeyXHYZSHVRUWFCNJ-UHFFFAOYSA-N
XLogP4.16
TPSA46.51 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.39
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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

T16AInh-A01
CID 135460621
2-Amino-4-(4-methoxyphenyl)thiazole
CID 159644
4-(2-Amino-1,3-thiazol-4-yl)phenol
CID 346926
4-(4-Phenoxy-phenyl)-thiazol-2-ylamine
CID 780598
4-(3,4-Dimethoxyphenyl)-1,3-thiazol-2-amine
CID 332397
4-(2-Methoxy-phenyl)-thiazol-2-ylamine
CID 735252
4-(2,3-Dihydro-1-benzofuran-5-yl)-1,3-thiazol-2-amine
CID 2758374
4-(3-Fluoro-4-methoxyphenyl)-2-thiazolamine
CID 2759006
4-(4-Methoxyphenyl)-5-methyl-1,3-thiazol-2-amine
CID 613228
5-Ethyl-4-(4-methoxy-phenyl)-thiazol-2-ylamine
CID 828523
N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]guanidine
CID 3780371
4-(4-methoxyphenyl)-N-phenyl-1,3-thiazol-2-amine
CID 698943

Frequently Asked Questions

What is the IUPAC name of N-(cyclopentylideneamino)-4-(4-methoxyphenyl)-1,3-thiazol-2-amine?
The IUPAC name of N-(cyclopentylideneamino)-4-(4-methoxyphenyl)-1,3-thiazol-2-amine (CID 25193423) is N-(cyclopentylideneamino)-4-(4-methoxyphenyl)-1,3-thiazol-2-amine.
What is the SMILES notation for N-(cyclopentylideneamino)-4-(4-methoxyphenyl)-1,3-thiazol-2-amine?
The canonical SMILES for N-(cyclopentylideneamino)-4-(4-methoxyphenyl)-1,3-thiazol-2-amine is COc1ccc(-c2csc(NN=C3CCCC3)n2)cc1.
What is the InChIKey of N-(cyclopentylideneamino)-4-(4-methoxyphenyl)-1,3-thiazol-2-amine?
The InChIKey is XHYZSHVRUWFCNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3OS/c1-19-13-8-6-11(7-9-13)14-10-20-15(16-14)18-17-12-4-2-3-5-12/h6-10H,2-5H2,1H3,(H,16,18).
What are the key properties of N-(cyclopentylideneamino)-4-(4-methoxyphenyl)-1,3-thiazol-2-amine?
N-(cyclopentylideneamino)-4-(4-methoxyphenyl)-1,3-thiazol-2-amine has a molecular weight of 287.39 g/mol, XLogP of 4.16, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopentylideneamino)-4-(4-methoxyphenyl)-1,3-thiazol-2-amine is sourced from PubChem (CID 25193423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).