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

C16H22ClN3S — CID 63843159

IUPAC1-(2-chlorophenyl)-1-N-methyl-1-N-[(4-methyl-1,3-thiazol-5-yl)methyl]butane-1,2-diamine
SMILESCCC(N)C(c1ccccc1Cl)N(C)Cc1scnc1C
InChIInChI=1S/C16H22ClN3S/c1-4-14(18)16(12-7-5-6-8-13(12)17)20(3)9-15-11(2)19-10-21-15/h5-8,10,14,16H,4,9,18H2,1-3H3
InChIKeyGLBUGMAEMBTBGL-UHFFFAOYSA-N
MW323.89 g/mol
LogP4.02
Rot. Bonds6

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

1-(2-chlorophenyl)-1-N-methyl-1-N-[(4-methyl-1,3-thiazol-5-yl)methyl]butane-1,2-diamine (PubChem CID 63843159) has the molecular formula C16H22ClN3S and a molecular weight of 323.89 g/mol. Its IUPAC name is 1-(2-chlorophenyl)-1-N-methyl-1-N-[(4-methyl-1,3-thiazol-5-yl)methyl]butane-1,2-diamine.

Molecular Properties

Compound Name1-(2-chlorophenyl)-1-N-methyl-1-N-[(4-methyl-1,3-thiazol-5-yl)methyl]butane-1,2-diamine
PubChem CID63843159
Molecular FormulaC16H22ClN3S
Molecular Weight323.89 g/mol
Exact Mass323.12
IUPAC Name1-(2-chlorophenyl)-1-N-methyl-1-N-[(4-methyl-1,3-thiazol-5-yl)methyl]butane-1,2-diamine
SMILESCCC(N)C(c1ccccc1Cl)N(C)Cc1scnc1C
InChIInChI=1S/C16H22ClN3S/c1-4-14(18)16(12-7-5-6-8-13(12)17)20(3)9-15-11(2)19-10-21-15/h5-8,10,14,16H,4,9,18H2,1-3H3
InChIKeyGLBUGMAEMBTBGL-UHFFFAOYSA-N
XLogP4.02
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.89
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-(2-chlorophenyl)-1-N-methyl-1-N-[(4-methyl-1,3-thiazol-5-yl)methyl]butane-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-N-methyl-1-N-[(4-methyl-1,3-thiazol-5-yl)methyl]-1-pyridin-3-ylbutane-1,2-diamine
CID 63842261
1-[[2-amino-1-(2-chlorophenyl)butyl]-methylamino]-2-methylpropan-2-ol
CID 79384483
1-(2-bromophenyl)-N-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]ethane-1,2-diamine
CID 55259223
1-(2-chlorophenyl)-1-N-ethyl-1-N-propan-2-ylbutane-1,2-diamine
CID 55018516
3-[methyl-[(4-methyl-1,3-thiazol-5-yl)methyl]amino]butanenitrile
CID 63821064
1-(2-chlorophenyl)-1-N-cyclopentyl-1-N-methylbutane-1,2-diamine
CID 55022362
2-amino-N-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]butanamide
CID 63837959
1-N-methyl-1-N-[(4-methyl-1,3-thiazol-5-yl)methyl]-3-phenylpropane-1,2-diamine
CID 63838007
2-[methyl-[(4-methyl-1,3-thiazol-5-yl)methyl]amino]-2-[2-(trifluoromethyl)phenyl]acetic acid
CID 138045786
N',2,2-trimethyl-N'-[(4-methyl-1,3-thiazol-5-yl)methyl]-1-phenylpropane-1,3-diamine
CID 63837706
N-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]-1-pyridin-4-ylethane-1,2-diamine
CID 63843483

Frequently Asked Questions

What is the IUPAC name of 1-(2-chlorophenyl)-1-N-methyl-1-N-[(4-methyl-1,3-thiazol-5-yl)methyl]butane-1,2-diamine?
The IUPAC name of 1-(2-chlorophenyl)-1-N-methyl-1-N-[(4-methyl-1,3-thiazol-5-yl)methyl]butane-1,2-diamine (CID 63843159) is 1-(2-chlorophenyl)-1-N-methyl-1-N-[(4-methyl-1,3-thiazol-5-yl)methyl]butane-1,2-diamine.
What is the SMILES notation for 1-(2-chlorophenyl)-1-N-methyl-1-N-[(4-methyl-1,3-thiazol-5-yl)methyl]butane-1,2-diamine?
The canonical SMILES for 1-(2-chlorophenyl)-1-N-methyl-1-N-[(4-methyl-1,3-thiazol-5-yl)methyl]butane-1,2-diamine is CCC(N)C(c1ccccc1Cl)N(C)Cc1scnc1C.
What is the InChIKey of 1-(2-chlorophenyl)-1-N-methyl-1-N-[(4-methyl-1,3-thiazol-5-yl)methyl]butane-1,2-diamine?
The InChIKey is GLBUGMAEMBTBGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22ClN3S/c1-4-14(18)16(12-7-5-6-8-13(12)17)20(3)9-15-11(2)19-10-21-15/h5-8,10,14,16H,4,9,18H2,1-3H3.
What are the key properties of 1-(2-chlorophenyl)-1-N-methyl-1-N-[(4-methyl-1,3-thiazol-5-yl)methyl]butane-1,2-diamine?
1-(2-chlorophenyl)-1-N-methyl-1-N-[(4-methyl-1,3-thiazol-5-yl)methyl]butane-1,2-diamine has a molecular weight of 323.89 g/mol, XLogP of 4.02, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chlorophenyl)-1-N-methyl-1-N-[(4-methyl-1,3-thiazol-5-yl)methyl]butane-1,2-diamine is sourced from PubChem (CID 63843159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).