N-ethyl-4-[[methyl-[(4-methyl-1,3-thiazol-5-yl)methyl]amino]methyl]thiadiazol-5-amine

C11H17N5S2 — CID 63836308

IUPACN-ethyl-4-[[methyl-[(4-methyl-1,3-thiazol-5-yl)methyl]amino]methyl]thiadiazol-5-amine
SMILESCCNc1snnc1CN(C)Cc1scnc1C
InChIInChI=1S/C11H17N5S2/c1-4-12-11-9(14-15-18-11)5-16(3)6-10-8(2)13-7-17-10/h7,12H,4-6H2,1-3H3
InChIKeyPNJAUIIFMFTOIA-UHFFFAOYSA-N
MW283.43 g/mol
LogP2.37
Rot. Bonds6

About N-ethyl-4-[[methyl-[(4-methyl-1,3-thiazol-5-yl)methyl]amino]methyl]thiadiazol-5-amine

N-ethyl-4-[[methyl-[(4-methyl-1,3-thiazol-5-yl)methyl]amino]methyl]thiadiazol-5-amine (PubChem CID 63836308) has the molecular formula C11H17N5S2 and a molecular weight of 283.43 g/mol. Its IUPAC name is N-ethyl-4-[[methyl-[(4-methyl-1,3-thiazol-5-yl)methyl]amino]methyl]thiadiazol-5-amine.

Molecular Properties

Compound NameN-ethyl-4-[[methyl-[(4-methyl-1,3-thiazol-5-yl)methyl]amino]methyl]thiadiazol-5-amine
PubChem CID63836308
Molecular FormulaC11H17N5S2
Molecular Weight283.43 g/mol
Exact Mass283.09
IUPAC NameN-ethyl-4-[[methyl-[(4-methyl-1,3-thiazol-5-yl)methyl]amino]methyl]thiadiazol-5-amine
SMILESCCNc1snnc1CN(C)Cc1scnc1C
InChIInChI=1S/C11H17N5S2/c1-4-12-11-9(14-15-18-11)5-16(3)6-10-8(2)13-7-17-10/h7,12H,4-6H2,1-3H3
InChIKeyPNJAUIIFMFTOIA-UHFFFAOYSA-N
XLogP2.37
TPSA53.94 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.43
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

4-[[(4-chlorophenyl)methyl-methylamino]methyl]-N-ethylthiadiazol-5-amine
CID 62207936
1-[[5-(ethylamino)thiadiazol-4-yl]methyl-methylamino]propan-2-ol
CID 62337157
N-methyl-2-(4-methyl-1,3-thiazol-5-yl)-N-[(4-methyl-1,3-thiazol-5-yl)methyl]ethanamine
CID 134709892
4-[[(3-chlorophenyl)methyl-methylamino]methyl]-N-ethylthiadiazol-5-amine
CID 62183868
4-[[5-(ethylamino)thiadiazol-4-yl]methyl-methylamino]benzonitrile
CID 62981587
2-N-ethyl-4-N,5-dimethyl-4-N-[(4-methyl-1,3-thiazol-5-yl)methyl]pyrimidine-2,4-diamine
CID 80839822
N-[[5-[[methyl-[(4-methyl-1,3-thiazol-5-yl)methyl]amino]methyl]furan-2-yl]methyl]ethanamine
CID 55256758
4-[[(4-bromothiophen-2-yl)methyl-methylamino]methyl]-N-propylthiadiazol-5-amine
CID 62183351
4-[[methyl-[(2-methylphenyl)methyl]amino]methyl]-N-propylthiadiazol-5-amine
CID 62208773
N-[(3-bromothiophen-2-yl)methyl]-N-methyl-1-(4-methyl-1,3-thiazol-5-yl)methanamine
CID 63823450
3-[methyl-[(4-methyl-1,3-thiazol-5-yl)methyl]amino]propanethioamide
CID 63838147
4-chloro-N-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]but-2-en-1-amine
CID 77051357

Frequently Asked Questions

What is the IUPAC name of N-ethyl-4-[[methyl-[(4-methyl-1,3-thiazol-5-yl)methyl]amino]methyl]thiadiazol-5-amine?
The IUPAC name of N-ethyl-4-[[methyl-[(4-methyl-1,3-thiazol-5-yl)methyl]amino]methyl]thiadiazol-5-amine (CID 63836308) is N-ethyl-4-[[methyl-[(4-methyl-1,3-thiazol-5-yl)methyl]amino]methyl]thiadiazol-5-amine.
What is the SMILES notation for N-ethyl-4-[[methyl-[(4-methyl-1,3-thiazol-5-yl)methyl]amino]methyl]thiadiazol-5-amine?
The canonical SMILES for N-ethyl-4-[[methyl-[(4-methyl-1,3-thiazol-5-yl)methyl]amino]methyl]thiadiazol-5-amine is CCNc1snnc1CN(C)Cc1scnc1C.
What is the InChIKey of N-ethyl-4-[[methyl-[(4-methyl-1,3-thiazol-5-yl)methyl]amino]methyl]thiadiazol-5-amine?
The InChIKey is PNJAUIIFMFTOIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N5S2/c1-4-12-11-9(14-15-18-11)5-16(3)6-10-8(2)13-7-17-10/h7,12H,4-6H2,1-3H3.
What are the key properties of N-ethyl-4-[[methyl-[(4-methyl-1,3-thiazol-5-yl)methyl]amino]methyl]thiadiazol-5-amine?
N-ethyl-4-[[methyl-[(4-methyl-1,3-thiazol-5-yl)methyl]amino]methyl]thiadiazol-5-amine has a molecular weight of 283.43 g/mol, XLogP of 2.37, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-4-[[methyl-[(4-methyl-1,3-thiazol-5-yl)methyl]amino]methyl]thiadiazol-5-amine is sourced from PubChem (CID 63836308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).