2-N-[(2,2-dimethyl-3,4-dihydrochromen-6-yl)methylideneamino]-1,3-thiazole-2,4-diamine

C15H18N4OS — CID 168628052

IUPAC2-N-[(2,2-dimethyl-3,4-dihydrochromen-6-yl)methylideneamino]-1,3-thiazole-2,4-diamine
SMILESCC1(C)CCc2cc(C=NNc3nc(N)cs3)ccc2O1
InChIInChI=1S/C15H18N4OS/c1-15(2)6-5-11-7-10(3-4-12(11)20-15)8-17-19-14-18-13(16)9-21-14/h3-4,7-9H,5-6,16H2,1-2H3,(H,18,19)
InChIKeyOFWVRUGVTCAMBA-UHFFFAOYSA-N
MW302.40 g/mol
LogP3.27
Rot. Bonds3

About 2-N-[(2,2-dimethyl-3,4-dihydrochromen-6-yl)methylideneamino]-1,3-thiazole-2,4-diamine

2-N-[(2,2-dimethyl-3,4-dihydrochromen-6-yl)methylideneamino]-1,3-thiazole-2,4-diamine (PubChem CID 168628052) has the molecular formula C15H18N4OS and a molecular weight of 302.40 g/mol. Its IUPAC name is 2-N-[(2,2-dimethyl-3,4-dihydrochromen-6-yl)methylideneamino]-1,3-thiazole-2,4-diamine.

Molecular Properties

Compound Name2-N-[(2,2-dimethyl-3,4-dihydrochromen-6-yl)methylideneamino]-1,3-thiazole-2,4-diamine
PubChem CID168628052
Molecular FormulaC15H18N4OS
Molecular Weight302.40 g/mol
Exact Mass302.12
IUPAC Name2-N-[(2,2-dimethyl-3,4-dihydrochromen-6-yl)methylideneamino]-1,3-thiazole-2,4-diamine
SMILESCC1(C)CCc2cc(C=NNc3nc(N)cs3)ccc2O1
InChIInChI=1S/C15H18N4OS/c1-15(2)6-5-11-7-10(3-4-12(11)20-15)8-17-19-14-18-13(16)9-21-14/h3-4,7-9H,5-6,16H2,1-2H3,(H,18,19)
InChIKeyOFWVRUGVTCAMBA-UHFFFAOYSA-N
XLogP3.27
TPSA72.53 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.40
LogP ≤ 53.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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

2-N-[[4-(1,3-benzodioxol-5-yl)phenyl]methylideneamino]-1,3-thiazole-2,4-diamine
CID 168628021
4-[[(4-amino-1,3-thiazol-2-yl)hydrazinylidene]methyl]-2-fluorophenol
CID 168625668
4-[[(4-amino-1,3-thiazol-2-yl)hydrazinylidene]methyl]-2-bromophenol
CID 168625614
2-N-[(4-iodo-3-methoxyphenyl)methylideneamino]-1,3-thiazole-2,4-diamine
CID 168628362
2-N-[(7-bromo-2,3-dihydro-1-benzofuran-5-yl)methylideneamino]-1,3-thiazole-2,4-diamine
CID 168626698
2-N-[[3-[(2-methylpropan-2-yl)oxy]phenyl]methylideneamino]-1,3-thiazole-2,4-diamine
CID 168627876
5-[[(4-amino-1,3-thiazol-2-yl)hydrazinylidene]methyl]benzene-1,3-diol
CID 168625822
2-N-[(4-fluoro-3,5-dimethylphenyl)methylideneamino]-1,3-thiazole-2,4-diamine
CID 168627080
2-N-[[4-(5-methylfuran-2-yl)phenyl]methylideneamino]-1,3-thiazole-2,4-diamine
CID 168628070
2-N-[(4-ethynyl-3-fluorophenyl)methylideneamino]-1,3-thiazole-2,4-diamine
CID 168627908
4-[[(4-amino-1,3-thiazol-2-yl)hydrazinylidene]methyl]benzoic acid
CID 168625512
4-[[(4-amino-1,3-thiazol-2-yl)hydrazinylidene]methyl]-N-methylbenzamide
CID 168626559

Frequently Asked Questions

What is the IUPAC name of 2-N-[(2,2-dimethyl-3,4-dihydrochromen-6-yl)methylideneamino]-1,3-thiazole-2,4-diamine?
The IUPAC name of 2-N-[(2,2-dimethyl-3,4-dihydrochromen-6-yl)methylideneamino]-1,3-thiazole-2,4-diamine (CID 168628052) is 2-N-[(2,2-dimethyl-3,4-dihydrochromen-6-yl)methylideneamino]-1,3-thiazole-2,4-diamine.
What is the SMILES notation for 2-N-[(2,2-dimethyl-3,4-dihydrochromen-6-yl)methylideneamino]-1,3-thiazole-2,4-diamine?
The canonical SMILES for 2-N-[(2,2-dimethyl-3,4-dihydrochromen-6-yl)methylideneamino]-1,3-thiazole-2,4-diamine is CC1(C)CCc2cc(C=NNc3nc(N)cs3)ccc2O1.
What is the InChIKey of 2-N-[(2,2-dimethyl-3,4-dihydrochromen-6-yl)methylideneamino]-1,3-thiazole-2,4-diamine?
The InChIKey is OFWVRUGVTCAMBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4OS/c1-15(2)6-5-11-7-10(3-4-12(11)20-15)8-17-19-14-18-13(16)9-21-14/h3-4,7-9H,5-6,16H2,1-2H3,(H,18,19).
What are the key properties of 2-N-[(2,2-dimethyl-3,4-dihydrochromen-6-yl)methylideneamino]-1,3-thiazole-2,4-diamine?
2-N-[(2,2-dimethyl-3,4-dihydrochromen-6-yl)methylideneamino]-1,3-thiazole-2,4-diamine has a molecular weight of 302.40 g/mol, XLogP of 3.27, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-[(2,2-dimethyl-3,4-dihydrochromen-6-yl)methylideneamino]-1,3-thiazole-2,4-diamine is sourced from PubChem (CID 168628052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).