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

C13H18N4S — CID 63843483

IUPACN-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]-1-pyridin-4-ylethane-1,2-diamine
SMILESCc1ncsc1CN(C)C(CN)c1ccncc1
InChIInChI=1S/C13H18N4S/c1-10-13(18-9-16-10)8-17(2)12(7-14)11-3-5-15-6-4-11/h3-6,9,12H,7-8,14H2,1-2H3
InChIKeyRHYSFKMPUFWWJF-UHFFFAOYSA-N
MW262.38 g/mol
LogP1.98
Rot. Bonds5

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

N-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]-1-pyridin-4-ylethane-1,2-diamine (PubChem CID 63843483) has the molecular formula C13H18N4S and a molecular weight of 262.38 g/mol. Its IUPAC name is N-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]-1-pyridin-4-ylethane-1,2-diamine.

Molecular Properties

Compound NameN-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]-1-pyridin-4-ylethane-1,2-diamine
PubChem CID63843483
Molecular FormulaC13H18N4S
Molecular Weight262.38 g/mol
Exact Mass262.13
IUPAC NameN-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]-1-pyridin-4-ylethane-1,2-diamine
SMILESCc1ncsc1CN(C)C(CN)c1ccncc1
InChIInChI=1S/C13H18N4S/c1-10-13(18-9-16-10)8-17(2)12(7-14)11-3-5-15-6-4-11/h3-6,9,12H,7-8,14H2,1-2H3
InChIKeyRHYSFKMPUFWWJF-UHFFFAOYSA-N
XLogP1.98
TPSA55.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.38
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(4-fluorophenyl)-N-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]ethane-1,2-diamine
CID 63843819
N-methyl-1-(4-methylsulfanylphenyl)-N-[(4-methyl-1,3-thiazol-5-yl)methyl]ethane-1,2-diamine
CID 63844009
1-(2-bromophenyl)-N-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]ethane-1,2-diamine
CID 55259223
1-(3-ethylimidazol-4-yl)-N-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]ethane-1,2-diamine
CID 66133065
4,4-dimethoxy-2-N-methyl-2-N-[(4-methyl-1,3-thiazol-5-yl)methyl]butane-1,2-diamine
CID 66268814
(1S)-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]-1-pyridin-4-ylethanamine
CID 81406260
1-N-methyl-1-N-[(4-methyl-1,3-thiazol-5-yl)methyl]-1-pyridin-3-ylbutane-1,2-diamine
CID 63842261
4-(aminomethyl)-N-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]pyrimidin-2-amine
CID 107542037
N-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]-1-(oxan-4-yl)ethane-1,2-diamine
CID 55261914
2-methyl-3-[methyl-[(4-methyl-1,3-thiazol-5-yl)methyl]amino]butanoic acid
CID 79413835
3-[methyl-[(4-methyl-1,3-thiazol-5-yl)methyl]amino]butanenitrile
CID 63821064
3-N,2-dimethyl-3-N-[(4-methyl-1,3-thiazol-5-yl)methyl]-1-N-propan-2-ylbutane-1,3-diamine
CID 79408549

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]-1-pyridin-4-ylethane-1,2-diamine?
The IUPAC name of N-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]-1-pyridin-4-ylethane-1,2-diamine (CID 63843483) is N-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]-1-pyridin-4-ylethane-1,2-diamine.
What is the SMILES notation for N-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]-1-pyridin-4-ylethane-1,2-diamine?
The canonical SMILES for N-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]-1-pyridin-4-ylethane-1,2-diamine is Cc1ncsc1CN(C)C(CN)c1ccncc1.
What is the InChIKey of N-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]-1-pyridin-4-ylethane-1,2-diamine?
The InChIKey is RHYSFKMPUFWWJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4S/c1-10-13(18-9-16-10)8-17(2)12(7-14)11-3-5-15-6-4-11/h3-6,9,12H,7-8,14H2,1-2H3.
What are the key properties of N-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]-1-pyridin-4-ylethane-1,2-diamine?
N-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]-1-pyridin-4-ylethane-1,2-diamine has a molecular weight of 262.38 g/mol, XLogP of 1.98, 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-pyridin-4-ylethane-1,2-diamine is sourced from PubChem (CID 63843483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).