N'-methyl-N'-(4-methyl-1,3-thiazol-2-yl)propane-1,3-diamine

C8H15N3S — CID 60870998

IUPACN'-methyl-N'-(4-methyl-1,3-thiazol-2-yl)propane-1,3-diamine
SMILESCc1csc(N(C)CCCN)n1
InChIInChI=1S/C8H15N3S/c1-7-6-12-8(10-7)11(2)5-3-4-9/h6H,3-5,9H2,1-2H3
InChIKeyYMVJPYYYNWKJPN-UHFFFAOYSA-N
MW185.30 g/mol
LogP1.24
Rot. Bonds4

About N'-methyl-N'-(4-methyl-1,3-thiazol-2-yl)propane-1,3-diamine

N'-methyl-N'-(4-methyl-1,3-thiazol-2-yl)propane-1,3-diamine (PubChem CID 60870998) has the molecular formula C8H15N3S and a molecular weight of 185.30 g/mol. Its IUPAC name is N'-methyl-N'-(4-methyl-1,3-thiazol-2-yl)propane-1,3-diamine.

Molecular Properties

Compound NameN'-methyl-N'-(4-methyl-1,3-thiazol-2-yl)propane-1,3-diamine
PubChem CID60870998
Molecular FormulaC8H15N3S
Molecular Weight185.30 g/mol
Exact Mass185.10
IUPAC NameN'-methyl-N'-(4-methyl-1,3-thiazol-2-yl)propane-1,3-diamine
SMILESCc1csc(N(C)CCCN)n1
InChIInChI=1S/C8H15N3S/c1-7-6-12-8(10-7)11(2)5-3-4-9/h6H,3-5,9H2,1-2H3
InChIKeyYMVJPYYYNWKJPN-UHFFFAOYSA-N
XLogP1.24
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.30
LogP ≤ 51.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N'-cyclobutyl-N'-(4-methyl-1,3-thiazol-2-yl)propane-1,3-diamine
CID 102874488
N-tert-butyl-N'-methyl-N'-(4-methyl-1,3-thiazol-2-yl)ethane-1,2-diamine
CID 62592142
2-[methyl-(4-methyl-1,3-thiazol-2-yl)amino]acetamide
CID 89133877
N-(2-methoxyethyl)-N'-methyl-N'-(4-methyl-1,3-thiazol-2-yl)ethane-1,2-diamine
CID 62585477
ethyl 2-[methyl-(4-methyl-1,3-thiazol-2-yl)amino]acetate
CID 62007331
N'-(4-bromo-1,3-thiazol-2-yl)-N,N,N'-trimethylpropane-1,3-diamine
CID 79399304
N-[4-(2-aminoethoxy)phenyl]-N,4-dimethyl-1,3-thiazol-2-amine
CID 96687368
4-[2-[methyl-(4-methyl-1,3-thiazol-2-yl)amino]ethoxy]benzaldehyde
CID 10446160
4-bromo-N-methyl-N-pentyl-1,3-thiazol-2-amine
CID 79398898
N'-methyl-N'-(1,3-thiazol-2-yl)pentane-1,5-diamine
CID 107207013
4-[(4-chloro-1,3-thiazol-2-yl)-methylamino]butanoic acid
CID 83153680
4-(3-aminopropyl)-N-methyl-N-propan-2-yl-1,3-thiazol-2-amine
CID 83886105

Frequently Asked Questions

What is the IUPAC name of N'-methyl-N'-(4-methyl-1,3-thiazol-2-yl)propane-1,3-diamine?
The IUPAC name of N'-methyl-N'-(4-methyl-1,3-thiazol-2-yl)propane-1,3-diamine (CID 60870998) is N'-methyl-N'-(4-methyl-1,3-thiazol-2-yl)propane-1,3-diamine.
What is the SMILES notation for N'-methyl-N'-(4-methyl-1,3-thiazol-2-yl)propane-1,3-diamine?
The canonical SMILES for N'-methyl-N'-(4-methyl-1,3-thiazol-2-yl)propane-1,3-diamine is Cc1csc(N(C)CCCN)n1.
What is the InChIKey of N'-methyl-N'-(4-methyl-1,3-thiazol-2-yl)propane-1,3-diamine?
The InChIKey is YMVJPYYYNWKJPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15N3S/c1-7-6-12-8(10-7)11(2)5-3-4-9/h6H,3-5,9H2,1-2H3.
What are the key properties of N'-methyl-N'-(4-methyl-1,3-thiazol-2-yl)propane-1,3-diamine?
N'-methyl-N'-(4-methyl-1,3-thiazol-2-yl)propane-1,3-diamine has a molecular weight of 185.30 g/mol, XLogP of 1.24, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-methyl-N'-(4-methyl-1,3-thiazol-2-yl)propane-1,3-diamine is sourced from PubChem (CID 60870998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).