N-[(2,2-dimethyl-3-methylidene-1-bicyclo[2.2.1]heptanyl)methylideneamino]-1,3-thiazol-2-amine

C14H19N3S — CID 162715201

IUPACN-[(2,2-dimethyl-3-methylidene-1-bicyclo[2.2.1]heptanyl)methylideneamino]-1,3-thiazol-2-amine
SMILESC=C1C2CCC(C=NNc3nccs3)(C2)C1(C)C
InChIInChI=1S/C14H19N3S/c1-10-11-4-5-14(8-11,13(10,2)3)9-16-17-12-15-6-7-18-12/h6-7,9,11H,1,4-5,8H2,2-3H3,(H,15,17)
InChIKeyDGJZVZWTFXAHGC-UHFFFAOYSA-N
MW261.39 g/mol
LogP3.92
Rot. Bonds3

About N-[(2,2-dimethyl-3-methylidene-1-bicyclo[2.2.1]heptanyl)methylideneamino]-1,3-thiazol-2-amine

N-[(2,2-dimethyl-3-methylidene-1-bicyclo[2.2.1]heptanyl)methylideneamino]-1,3-thiazol-2-amine (PubChem CID 162715201) has the molecular formula C14H19N3S and a molecular weight of 261.39 g/mol. Its IUPAC name is N-[(2,2-dimethyl-3-methylidene-1-bicyclo[2.2.1]heptanyl)methylideneamino]-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-[(2,2-dimethyl-3-methylidene-1-bicyclo[2.2.1]heptanyl)methylideneamino]-1,3-thiazol-2-amine
PubChem CID162715201
Molecular FormulaC14H19N3S
Molecular Weight261.39 g/mol
Exact Mass261.13
IUPAC NameN-[(2,2-dimethyl-3-methylidene-1-bicyclo[2.2.1]heptanyl)methylideneamino]-1,3-thiazol-2-amine
SMILESC=C1C2CCC(C=NNc3nccs3)(C2)C1(C)C
InChIInChI=1S/C14H19N3S/c1-10-11-4-5-14(8-11,13(10,2)3)9-16-17-12-15-6-7-18-12/h6-7,9,11H,1,4-5,8H2,2-3H3,(H,15,17)
InChIKeyDGJZVZWTFXAHGC-UHFFFAOYSA-N
XLogP3.92
TPSA37.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.39
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[(1-methylcyclopropyl)methyl]-1,3-thiazol-2-amine
CID 107143585
N-[(E)-(5-methylfuran-2-yl)methylideneamino]-1,3-thiazol-2-amine
CID 7245227
N-[(4-methoxyphenyl)methylideneamino]-1,3-thiazol-2-amine
CID 74253241
N-(3-methylpentan-3-yl)-1,3-thiazol-2-amine
CID 106329523
N-[1-(1-methylcyclopropyl)ethyl]-1,3-thiazol-2-amine
CID 79046980
N-(4,4-dimethyl-2,3-dihydro-1H-naphthalen-1-yl)-1,3-thiazol-2-amine
CID 78982946
2-[(1,3-thiazol-2-ylhydrazinylidene)methyl]phenol
CID 2789386
N-[(2,6-dichlorophenyl)methylideneamino]-1,3-thiazol-2-amine
CID 2790075
2,2-dimethyl-3-methylidenebicyclo[2.2.1]heptan-1-amine
CID 21387451
cis-(1R,2S)-3-methylidene-1-N,2-N-bis(1,3-thiazol-2-yl)cyclopropane-1,2-dicarboxamide
CID 2313436
N-methylselanyl-1,3-thiazol-2-amine
CID 142317624
2,6-dimethoxy-4-[(E)-(1,3-thiazol-2-ylhydrazinylidene)methyl]phenol
CID 135781520

Frequently Asked Questions

What is the IUPAC name of N-[(2,2-dimethyl-3-methylidene-1-bicyclo[2.2.1]heptanyl)methylideneamino]-1,3-thiazol-2-amine?
The IUPAC name of N-[(2,2-dimethyl-3-methylidene-1-bicyclo[2.2.1]heptanyl)methylideneamino]-1,3-thiazol-2-amine (CID 162715201) is N-[(2,2-dimethyl-3-methylidene-1-bicyclo[2.2.1]heptanyl)methylideneamino]-1,3-thiazol-2-amine.
What is the SMILES notation for N-[(2,2-dimethyl-3-methylidene-1-bicyclo[2.2.1]heptanyl)methylideneamino]-1,3-thiazol-2-amine?
The canonical SMILES for N-[(2,2-dimethyl-3-methylidene-1-bicyclo[2.2.1]heptanyl)methylideneamino]-1,3-thiazol-2-amine is C=C1C2CCC(C=NNc3nccs3)(C2)C1(C)C.
What is the InChIKey of N-[(2,2-dimethyl-3-methylidene-1-bicyclo[2.2.1]heptanyl)methylideneamino]-1,3-thiazol-2-amine?
The InChIKey is DGJZVZWTFXAHGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3S/c1-10-11-4-5-14(8-11,13(10,2)3)9-16-17-12-15-6-7-18-12/h6-7,9,11H,1,4-5,8H2,2-3H3,(H,15,17).
What are the key properties of N-[(2,2-dimethyl-3-methylidene-1-bicyclo[2.2.1]heptanyl)methylideneamino]-1,3-thiazol-2-amine?
N-[(2,2-dimethyl-3-methylidene-1-bicyclo[2.2.1]heptanyl)methylideneamino]-1,3-thiazol-2-amine has a molecular weight of 261.39 g/mol, XLogP of 3.92, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,2-dimethyl-3-methylidene-1-bicyclo[2.2.1]heptanyl)methylideneamino]-1,3-thiazol-2-amine is sourced from PubChem (CID 162715201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).