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

C15H22N4S — CID 63842261

IUPAC1-N-methyl-1-N-[(4-methyl-1,3-thiazol-5-yl)methyl]-1-pyridin-3-ylbutane-1,2-diamine
SMILESCCC(N)C(c1cccnc1)N(C)Cc1scnc1C
InChIInChI=1S/C15H22N4S/c1-4-13(16)15(12-6-5-7-17-8-12)19(3)9-14-11(2)18-10-20-14/h5-8,10,13,15H,4,9,16H2,1-3H3
InChIKeyQUIGNMUGMAJIAL-UHFFFAOYSA-N
MW290.44 g/mol
LogP2.76
Rot. Bonds6

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

1-N-methyl-1-N-[(4-methyl-1,3-thiazol-5-yl)methyl]-1-pyridin-3-ylbutane-1,2-diamine (PubChem CID 63842261) has the molecular formula C15H22N4S and a molecular weight of 290.44 g/mol. Its IUPAC name is 1-N-methyl-1-N-[(4-methyl-1,3-thiazol-5-yl)methyl]-1-pyridin-3-ylbutane-1,2-diamine.

Molecular Properties

Compound Name1-N-methyl-1-N-[(4-methyl-1,3-thiazol-5-yl)methyl]-1-pyridin-3-ylbutane-1,2-diamine
PubChem CID63842261
Molecular FormulaC15H22N4S
Molecular Weight290.44 g/mol
Exact Mass290.16
IUPAC Name1-N-methyl-1-N-[(4-methyl-1,3-thiazol-5-yl)methyl]-1-pyridin-3-ylbutane-1,2-diamine
SMILESCCC(N)C(c1cccnc1)N(C)Cc1scnc1C
InChIInChI=1S/C15H22N4S/c1-4-13(16)15(12-6-5-7-17-8-12)19(3)9-14-11(2)18-10-20-14/h5-8,10,13,15H,4,9,16H2,1-3H3
InChIKeyQUIGNMUGMAJIAL-UHFFFAOYSA-N
XLogP2.76
TPSA55.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.44
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-N-methyl-1-N-[(4-methyl-1,3-thiazol-5-yl)methyl]-1-pyridin-3-ylbutane-1,2-diamine with MolForge

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Related Compounds

1-(furan-2-yl)-1-N-methyl-1-N-[(4-methyl-1,3-thiazol-5-yl)methyl]butane-1,2-diamine
CID 63841942
1-(2-chlorophenyl)-1-N-methyl-1-N-[(4-methyl-1,3-thiazol-5-yl)methyl]butane-1,2-diamine
CID 63843159
1-[(2-amino-1-pyridin-3-ylbutyl)-methylamino]propan-2-ol
CID 55061112
1-N-methyl-1-N-(2-phenylethyl)-1-pyridin-3-ylbutane-1,2-diamine
CID 65483700
N-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]-1-pyridin-4-ylethane-1,2-diamine
CID 63843483
(1R)-N-methyl-N-[(3-methylthiophen-2-yl)methyl]-1-pyridin-3-ylpropan-1-amine
CID 95131581
3-[methyl-[(4-methyl-1,3-thiazol-5-yl)methyl]amino]butanenitrile
CID 63821064
N',2,2-trimethyl-N'-[(4-methyl-1,3-thiazol-5-yl)methyl]-1-phenylpropane-1,3-diamine
CID 63837706
1-N-methyl-1-N-(1-methylsulfanylpropan-2-yl)-1-pyridin-3-ylpropane-1,2-diamine
CID 112657794
1-N-methyl-1-N-(oxolan-3-yl)-1-pyridin-3-ylbutane-1,2-diamine
CID 82731850
4-(chloromethyl)-N-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]pyridin-3-amine
CID 105067467
1-(4-fluorophenyl)-N-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]ethane-1,2-diamine
CID 63843819

Frequently Asked Questions

What is the IUPAC name of 1-N-methyl-1-N-[(4-methyl-1,3-thiazol-5-yl)methyl]-1-pyridin-3-ylbutane-1,2-diamine?
The IUPAC name of 1-N-methyl-1-N-[(4-methyl-1,3-thiazol-5-yl)methyl]-1-pyridin-3-ylbutane-1,2-diamine (CID 63842261) is 1-N-methyl-1-N-[(4-methyl-1,3-thiazol-5-yl)methyl]-1-pyridin-3-ylbutane-1,2-diamine.
What is the SMILES notation for 1-N-methyl-1-N-[(4-methyl-1,3-thiazol-5-yl)methyl]-1-pyridin-3-ylbutane-1,2-diamine?
The canonical SMILES for 1-N-methyl-1-N-[(4-methyl-1,3-thiazol-5-yl)methyl]-1-pyridin-3-ylbutane-1,2-diamine is CCC(N)C(c1cccnc1)N(C)Cc1scnc1C.
What is the InChIKey of 1-N-methyl-1-N-[(4-methyl-1,3-thiazol-5-yl)methyl]-1-pyridin-3-ylbutane-1,2-diamine?
The InChIKey is QUIGNMUGMAJIAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4S/c1-4-13(16)15(12-6-5-7-17-8-12)19(3)9-14-11(2)18-10-20-14/h5-8,10,13,15H,4,9,16H2,1-3H3.
What are the key properties of 1-N-methyl-1-N-[(4-methyl-1,3-thiazol-5-yl)methyl]-1-pyridin-3-ylbutane-1,2-diamine?
1-N-methyl-1-N-[(4-methyl-1,3-thiazol-5-yl)methyl]-1-pyridin-3-ylbutane-1,2-diamine has a molecular weight of 290.44 g/mol, XLogP of 2.76, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-methyl-1-N-[(4-methyl-1,3-thiazol-5-yl)methyl]-1-pyridin-3-ylbutane-1,2-diamine is sourced from PubChem (CID 63842261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).