N'-methyl-N'-[(4-methyl-1,3-thiazol-5-yl)methyl]-1-thiophen-2-ylethane-1,2-diamine

C12H17N3S2 — CID 115287870

IUPACN'-methyl-N'-[(4-methyl-1,3-thiazol-5-yl)methyl]-1-thiophen-2-ylethane-1,2-diamine
SMILESCc1ncsc1CN(C)CC(N)c1cccs1
InChIInChI=1S/C12H17N3S2/c1-9-12(17-8-14-9)7-15(2)6-10(13)11-4-3-5-16-11/h3-5,8,10H,6-7,13H2,1-2H3
InChIKeyHADMANLRPLKEPI-UHFFFAOYSA-N
MW267.42 g/mol
LogP2.64
Rot. Bonds5

About N'-methyl-N'-[(4-methyl-1,3-thiazol-5-yl)methyl]-1-thiophen-2-ylethane-1,2-diamine

N'-methyl-N'-[(4-methyl-1,3-thiazol-5-yl)methyl]-1-thiophen-2-ylethane-1,2-diamine (PubChem CID 115287870) has the molecular formula C12H17N3S2 and a molecular weight of 267.42 g/mol. Its IUPAC name is N'-methyl-N'-[(4-methyl-1,3-thiazol-5-yl)methyl]-1-thiophen-2-ylethane-1,2-diamine.

Molecular Properties

Compound NameN'-methyl-N'-[(4-methyl-1,3-thiazol-5-yl)methyl]-1-thiophen-2-ylethane-1,2-diamine
PubChem CID115287870
Molecular FormulaC12H17N3S2
Molecular Weight267.42 g/mol
Exact Mass267.09
IUPAC NameN'-methyl-N'-[(4-methyl-1,3-thiazol-5-yl)methyl]-1-thiophen-2-ylethane-1,2-diamine
SMILESCc1ncsc1CN(C)CC(N)c1cccs1
InChIInChI=1S/C12H17N3S2/c1-9-12(17-8-14-9)7-15(2)6-10(13)11-4-3-5-16-11/h3-5,8,10H,6-7,13H2,1-2H3
InChIKeyHADMANLRPLKEPI-UHFFFAOYSA-N
XLogP2.64
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.42
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-N-methyl-1-N-[(4-methyl-1,3-thiazol-5-yl)methyl]-3-phenylpropane-1,2-diamine
CID 63838007
N'-methyl-N'-[(4-methylphenyl)methyl]-1-thiophen-2-ylethane-1,2-diamine
CID 115287665
N'-methyl-N'-[(2-methyl-1,3-thiazol-4-yl)methyl]-1-thiophen-2-ylethane-1,2-diamine
CID 115287796
N'-methyl-N'-[(2-methylfuran-3-yl)methyl]-1-thiophen-2-ylethane-1,2-diamine
CID 115287748
1-N,2-dimethyl-1-N-[(4-methyl-1,3-thiazol-5-yl)methyl]heptane-1,6-diamine
CID 65296200
1-(4-aminophenyl)-2-[methyl-[(4-methyl-1,3-thiazol-5-yl)methyl]amino]ethanol
CID 63843470
N',2,2-trimethyl-N'-[(4-methyl-1,3-thiazol-5-yl)methyl]-1-phenylpropane-1,3-diamine
CID 63837706
(1S)-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]-1-thiophen-2-ylethanamine
CID 81407952
N-[(3-bromothiophen-2-yl)methyl]-N-methyl-1-(4-methyl-1,3-thiazol-5-yl)methanamine
CID 63823450
1-(3-fluorophenyl)-N'-methyl-N'-[(4-methyl-1,3-thiazol-5-yl)methyl]propane-1,3-diamine
CID 63837877
N-methyl-2-(4-methyl-1,3-thiazol-5-yl)-N-[(4-methyl-1,3-thiazol-5-yl)methyl]ethanamine
CID 134709892
(1S)-N-[(4-methyl-1,3-thiazol-5-yl)methyl]-1-thiophen-2-ylethanamine
CID 81398219

Frequently Asked Questions

What is the IUPAC name of N'-methyl-N'-[(4-methyl-1,3-thiazol-5-yl)methyl]-1-thiophen-2-ylethane-1,2-diamine?
The IUPAC name of N'-methyl-N'-[(4-methyl-1,3-thiazol-5-yl)methyl]-1-thiophen-2-ylethane-1,2-diamine (CID 115287870) is N'-methyl-N'-[(4-methyl-1,3-thiazol-5-yl)methyl]-1-thiophen-2-ylethane-1,2-diamine.
What is the SMILES notation for N'-methyl-N'-[(4-methyl-1,3-thiazol-5-yl)methyl]-1-thiophen-2-ylethane-1,2-diamine?
The canonical SMILES for N'-methyl-N'-[(4-methyl-1,3-thiazol-5-yl)methyl]-1-thiophen-2-ylethane-1,2-diamine is Cc1ncsc1CN(C)CC(N)c1cccs1.
What is the InChIKey of N'-methyl-N'-[(4-methyl-1,3-thiazol-5-yl)methyl]-1-thiophen-2-ylethane-1,2-diamine?
The InChIKey is HADMANLRPLKEPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3S2/c1-9-12(17-8-14-9)7-15(2)6-10(13)11-4-3-5-16-11/h3-5,8,10H,6-7,13H2,1-2H3.
What are the key properties of N'-methyl-N'-[(4-methyl-1,3-thiazol-5-yl)methyl]-1-thiophen-2-ylethane-1,2-diamine?
N'-methyl-N'-[(4-methyl-1,3-thiazol-5-yl)methyl]-1-thiophen-2-ylethane-1,2-diamine has a molecular weight of 267.42 g/mol, XLogP of 2.64, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-methyl-N'-[(4-methyl-1,3-thiazol-5-yl)methyl]-1-thiophen-2-ylethane-1,2-diamine is sourced from PubChem (CID 115287870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).