4,5-dimethyl-N-[(Z)-(2-methyl-1H-indol-3-yl)methylideneamino]-1,3-thiazol-2-amine

C15H16N4S — CID 136822328

IUPAC4,5-dimethyl-N-[(Z)-(2-methyl-1H-indol-3-yl)methylideneamino]-1,3-thiazol-2-amine
SMILESCc1nc(N/N=C\c2c(C)[nH]c3ccccc23)sc1C
InChIInChI=1S/C15H16N4S/c1-9-11(3)20-15(18-9)19-16-8-13-10(2)17-14-7-5-4-6-12(13)14/h4-8,17H,1-3H3,(H,18,19)/b16-8-
InChIKeyNZIVPKGCPGCHHJ-PXNMLYILSA-N
MW284.39 g/mol
LogP4.00
Rot. Bonds3

About 4,5-dimethyl-N-[(Z)-(2-methyl-1H-indol-3-yl)methylideneamino]-1,3-thiazol-2-amine

4,5-dimethyl-N-[(Z)-(2-methyl-1H-indol-3-yl)methylideneamino]-1,3-thiazol-2-amine (PubChem CID 136822328) has the molecular formula C15H16N4S and a molecular weight of 284.39 g/mol. Its IUPAC name is 4,5-dimethyl-N-[(Z)-(2-methyl-1H-indol-3-yl)methylideneamino]-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4,5-dimethyl-N-[(Z)-(2-methyl-1H-indol-3-yl)methylideneamino]-1,3-thiazol-2-amine
PubChem CID136822328
Molecular FormulaC15H16N4S
Molecular Weight284.39 g/mol
Exact Mass284.11
IUPAC Name4,5-dimethyl-N-[(Z)-(2-methyl-1H-indol-3-yl)methylideneamino]-1,3-thiazol-2-amine
SMILESCc1nc(N/N=C\c2c(C)[nH]c3ccccc23)sc1C
InChIInChI=1S/C15H16N4S/c1-9-11(3)20-15(18-9)19-16-8-13-10(2)17-14-7-5-4-6-12(13)14/h4-8,17H,1-3H3,(H,18,19)/b16-8-
InChIKeyNZIVPKGCPGCHHJ-PXNMLYILSA-N
XLogP4.00
TPSA53.07 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.39
LogP ≤ 54.00
H-Bond Donors ≤ 52
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

methyl 4-methyl-2-[(2Z)-2-[(2-methyl-1H-indol-3-yl)methylidene]hydrazinyl]-1,3-thiazole-5-carboxylate
CID 136822183
N-[(E)-(2-methyl-1H-indol-3-yl)methylideneamino]methanamine
CID 136786730
4-(3,4-dimethylphenyl)-N-[(Z)-(2-methyl-1H-indol-3-yl)methylideneamino]-1,3-thiazol-2-amine
CID 136781941
2-chloro-N-[(2-methyl-1H-indol-3-yl)methylideneamino]aniline
CID 3656134
N,4-bis[(Z)-(2-methyl-1H-indol-3-yl)methylideneamino]-1,2,4-triazol-3-amine
CID 137045142
3,5,6-trichloro-N-[(E)-(2-methyl-1H-indol-3-yl)methylideneamino]pyridin-2-amine
CID 135716458
2-[(E)-[(4,5-dimethyl-1,3-thiazol-2-yl)hydrazinylidene]methyl]phenol
CID 135588614
N-[(2-chlorophenyl)methylideneamino]-4,5-dimethyl-1,3-thiazol-2-amine
CID 4074619
4-(2,4-dimethoxyphenyl)-N-[(Z)-(2-methyl-1H-indol-3-yl)methylideneamino]-1,3-thiazol-2-amine
CID 136781760
3-N-[(E)-(2-methyl-1H-indol-3-yl)methylideneamino]-1,2,4-triazole-3,4-diamine;dihydrochloride
CID 137153076
N-[(E)-[2-[(2-chlorophenyl)methoxy]naphthalen-1-yl]methylideneamino]-4,5-dimethyl-1,3-thiazol-2-amine
CID 17384637
6-N-(4-fluorophenyl)-2-N,2-N-dimethyl-4-N-[(2-methyl-1H-indol-3-yl)methylideneamino]-1,3,5-triazine-2,4,6-triamine
CID 2833185

Frequently Asked Questions

What is the IUPAC name of 4,5-dimethyl-N-[(Z)-(2-methyl-1H-indol-3-yl)methylideneamino]-1,3-thiazol-2-amine?
The IUPAC name of 4,5-dimethyl-N-[(Z)-(2-methyl-1H-indol-3-yl)methylideneamino]-1,3-thiazol-2-amine (CID 136822328) is 4,5-dimethyl-N-[(Z)-(2-methyl-1H-indol-3-yl)methylideneamino]-1,3-thiazol-2-amine.
What is the SMILES notation for 4,5-dimethyl-N-[(Z)-(2-methyl-1H-indol-3-yl)methylideneamino]-1,3-thiazol-2-amine?
The canonical SMILES for 4,5-dimethyl-N-[(Z)-(2-methyl-1H-indol-3-yl)methylideneamino]-1,3-thiazol-2-amine is Cc1nc(N/N=C\c2c(C)[nH]c3ccccc23)sc1C.
What is the InChIKey of 4,5-dimethyl-N-[(Z)-(2-methyl-1H-indol-3-yl)methylideneamino]-1,3-thiazol-2-amine?
The InChIKey is NZIVPKGCPGCHHJ-PXNMLYILSA-N. The full InChI is InChI=1S/C15H16N4S/c1-9-11(3)20-15(18-9)19-16-8-13-10(2)17-14-7-5-4-6-12(13)14/h4-8,17H,1-3H3,(H,18,19)/b16-8-.
What are the key properties of 4,5-dimethyl-N-[(Z)-(2-methyl-1H-indol-3-yl)methylideneamino]-1,3-thiazol-2-amine?
4,5-dimethyl-N-[(Z)-(2-methyl-1H-indol-3-yl)methylideneamino]-1,3-thiazol-2-amine has a molecular weight of 284.39 g/mol, XLogP of 4.00, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dimethyl-N-[(Z)-(2-methyl-1H-indol-3-yl)methylideneamino]-1,3-thiazol-2-amine is sourced from PubChem (CID 136822328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).