2-methyl-N'-(1,3-thiazol-2-ylmethyl)propane-1,3-diamine

C8H15N3S — CID 62669491

IUPAC2-methyl-N'-(1,3-thiazol-2-ylmethyl)propane-1,3-diamine
SMILESCC(CN)CNCc1nccs1
InChIInChI=1S/C8H15N3S/c1-7(4-9)5-10-6-8-11-2-3-12-8/h2-3,7,10H,4-6,9H2,1H3
InChIKeyBXHKVJWEFBYWGA-UHFFFAOYSA-N
MW185.30 g/mol
LogP0.83
Rot. Bonds5

About 2-methyl-N'-(1,3-thiazol-2-ylmethyl)propane-1,3-diamine

2-methyl-N'-(1,3-thiazol-2-ylmethyl)propane-1,3-diamine (PubChem CID 62669491) has the molecular formula C8H15N3S and a molecular weight of 185.30 g/mol. Its IUPAC name is 2-methyl-N'-(1,3-thiazol-2-ylmethyl)propane-1,3-diamine.

Molecular Properties

Compound Name2-methyl-N'-(1,3-thiazol-2-ylmethyl)propane-1,3-diamine
PubChem CID62669491
Molecular FormulaC8H15N3S
Molecular Weight185.30 g/mol
Exact Mass185.10
IUPAC Name2-methyl-N'-(1,3-thiazol-2-ylmethyl)propane-1,3-diamine
SMILESCC(CN)CNCc1nccs1
InChIInChI=1S/C8H15N3S/c1-7(4-9)5-10-6-8-11-2-3-12-8/h2-3,7,10H,4-6,9H2,1H3
InChIKeyBXHKVJWEFBYWGA-UHFFFAOYSA-N
XLogP0.83
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.30
LogP ≤ 50.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-methyl-N-(1,3-thiazol-2-ylmethyl)pentan-1-amine
CID 61286207
2-ethyl-N'-(1,3-thiazol-2-ylmethyl)propane-1,3-diamine
CID 65232884
1-(1,3-thiazol-2-ylmethylamino)propan-2-ol;dihydrochloride
CID 56773666
4-methoxy-1-N-(1,3-thiazol-2-ylmethyl)butane-1,2-diamine
CID 62477835
2,2-dimethyl-N-(1,3-thiazol-2-ylmethyl)propan-1-amine
CID 61326610
N,N-dimethyl-N'-(1,3-thiazol-2-ylmethyl)-1-thiophen-2-ylethane-1,2-diamine
CID 55208645
2,2,3-trimethyl-1-N-(1,3-thiazol-2-ylmethyl)butane-1,3-diamine
CID 65266835
2-methyl-3-(1,3-thiazol-2-yl)-N-(2,2,2-trifluoroethyl)propan-1-amine
CID 114899410
3-methylsulfinyl-N-(1,3-thiazol-2-ylmethyl)butan-1-amine
CID 115711563
N-methyl-N'-(1,3-thiazol-2-ylmethyl)propane-1,3-diamine
CID 21021493
2-N,3-N-bis(1,3-thiazol-2-ylmethyl)pyrazine-2,3-diamine
CID 86794222
N-[(1-methylsulfanylcyclopropyl)methyl]-1-(1,3-thiazol-2-yl)methanamine
CID 107267632

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N'-(1,3-thiazol-2-ylmethyl)propane-1,3-diamine?
The IUPAC name of 2-methyl-N'-(1,3-thiazol-2-ylmethyl)propane-1,3-diamine (CID 62669491) is 2-methyl-N'-(1,3-thiazol-2-ylmethyl)propane-1,3-diamine.
What is the SMILES notation for 2-methyl-N'-(1,3-thiazol-2-ylmethyl)propane-1,3-diamine?
The canonical SMILES for 2-methyl-N'-(1,3-thiazol-2-ylmethyl)propane-1,3-diamine is CC(CN)CNCc1nccs1.
What is the InChIKey of 2-methyl-N'-(1,3-thiazol-2-ylmethyl)propane-1,3-diamine?
The InChIKey is BXHKVJWEFBYWGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15N3S/c1-7(4-9)5-10-6-8-11-2-3-12-8/h2-3,7,10H,4-6,9H2,1H3.
What are the key properties of 2-methyl-N'-(1,3-thiazol-2-ylmethyl)propane-1,3-diamine?
2-methyl-N'-(1,3-thiazol-2-ylmethyl)propane-1,3-diamine has a molecular weight of 185.30 g/mol, XLogP of 0.83, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N'-(1,3-thiazol-2-ylmethyl)propane-1,3-diamine is sourced from PubChem (CID 62669491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).