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

C17H25N3S — CID 63837706

IUPACN',2,2-trimethyl-N'-[(4-methyl-1,3-thiazol-5-yl)methyl]-1-phenylpropane-1,3-diamine
SMILESCc1ncsc1CN(C)CC(C)(C)C(N)c1ccccc1
InChIInChI=1S/C17H25N3S/c1-13-15(21-12-19-13)10-20(4)11-17(2,3)16(18)14-8-6-5-7-9-14/h5-9,12,16H,10-11,18H2,1-4H3
InChIKeyRHAVNZDEIPOKQH-UHFFFAOYSA-N
MW303.48 g/mol
LogP3.61
Rot. Bonds6

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

N',2,2-trimethyl-N'-[(4-methyl-1,3-thiazol-5-yl)methyl]-1-phenylpropane-1,3-diamine (PubChem CID 63837706) has the molecular formula C17H25N3S and a molecular weight of 303.48 g/mol. Its IUPAC name is N',2,2-trimethyl-N'-[(4-methyl-1,3-thiazol-5-yl)methyl]-1-phenylpropane-1,3-diamine.

Molecular Properties

Compound NameN',2,2-trimethyl-N'-[(4-methyl-1,3-thiazol-5-yl)methyl]-1-phenylpropane-1,3-diamine
PubChem CID63837706
Molecular FormulaC17H25N3S
Molecular Weight303.48 g/mol
Exact Mass303.18
IUPAC NameN',2,2-trimethyl-N'-[(4-methyl-1,3-thiazol-5-yl)methyl]-1-phenylpropane-1,3-diamine
SMILESCc1ncsc1CN(C)CC(C)(C)C(N)c1ccccc1
InChIInChI=1S/C17H25N3S/c1-13-15(21-12-19-13)10-20(4)11-17(2,3)16(18)14-8-6-5-7-9-14/h5-9,12,16H,10-11,18H2,1-4H3
InChIKeyRHAVNZDEIPOKQH-UHFFFAOYSA-N
XLogP3.61
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.48
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N',2,2-trimethyl-N'-[(4-methyl-1,3-thiazol-5-yl)methyl]-1-phenylpropane-1,3-diamine?
The IUPAC name of N',2,2-trimethyl-N'-[(4-methyl-1,3-thiazol-5-yl)methyl]-1-phenylpropane-1,3-diamine (CID 63837706) is N',2,2-trimethyl-N'-[(4-methyl-1,3-thiazol-5-yl)methyl]-1-phenylpropane-1,3-diamine.
What is the SMILES notation for N',2,2-trimethyl-N'-[(4-methyl-1,3-thiazol-5-yl)methyl]-1-phenylpropane-1,3-diamine?
The canonical SMILES for N',2,2-trimethyl-N'-[(4-methyl-1,3-thiazol-5-yl)methyl]-1-phenylpropane-1,3-diamine is Cc1ncsc1CN(C)CC(C)(C)C(N)c1ccccc1.
What is the InChIKey of N',2,2-trimethyl-N'-[(4-methyl-1,3-thiazol-5-yl)methyl]-1-phenylpropane-1,3-diamine?
The InChIKey is RHAVNZDEIPOKQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3S/c1-13-15(21-12-19-13)10-20(4)11-17(2,3)16(18)14-8-6-5-7-9-14/h5-9,12,16H,10-11,18H2,1-4H3.
What are the key properties of N',2,2-trimethyl-N'-[(4-methyl-1,3-thiazol-5-yl)methyl]-1-phenylpropane-1,3-diamine?
N',2,2-trimethyl-N'-[(4-methyl-1,3-thiazol-5-yl)methyl]-1-phenylpropane-1,3-diamine has a molecular weight of 303.48 g/mol, XLogP of 3.61, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N',2,2-trimethyl-N'-[(4-methyl-1,3-thiazol-5-yl)methyl]-1-phenylpropane-1,3-diamine is sourced from PubChem (CID 63837706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).