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

C11H19N3S — CID 102874488

IUPACN'-cyclobutyl-N'-(4-methyl-1,3-thiazol-2-yl)propane-1,3-diamine
SMILESCc1csc(N(CCCN)C2CCC2)n1
InChIInChI=1S/C11H19N3S/c1-9-8-15-11(13-9)14(7-3-6-12)10-4-2-5-10/h8,10H,2-7,12H2,1H3
InChIKeyMKKMFCRGGMZLKE-UHFFFAOYSA-N
MW225.36 g/mol
LogP2.16
Rot. Bonds5

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

N'-cyclobutyl-N'-(4-methyl-1,3-thiazol-2-yl)propane-1,3-diamine (PubChem CID 102874488) has the molecular formula C11H19N3S and a molecular weight of 225.36 g/mol. Its IUPAC name is N'-cyclobutyl-N'-(4-methyl-1,3-thiazol-2-yl)propane-1,3-diamine.

Molecular Properties

Compound NameN'-cyclobutyl-N'-(4-methyl-1,3-thiazol-2-yl)propane-1,3-diamine
PubChem CID102874488
Molecular FormulaC11H19N3S
Molecular Weight225.36 g/mol
Exact Mass225.13
IUPAC NameN'-cyclobutyl-N'-(4-methyl-1,3-thiazol-2-yl)propane-1,3-diamine
SMILESCc1csc(N(CCCN)C2CCC2)n1
InChIInChI=1S/C11H19N3S/c1-9-8-15-11(13-9)14(7-3-6-12)10-4-2-5-10/h8,10H,2-7,12H2,1H3
InChIKeyMKKMFCRGGMZLKE-UHFFFAOYSA-N
XLogP2.16
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.36
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-chloroethyl)-N-cyclohexyl-4-methyl-1,3-thiazol-2-amine
CID 63388279
N'-cyclobutyl-N'-(3-methyl-1,2,4-thiadiazol-5-yl)propane-1,3-diamine
CID 102874524
N'-methyl-N'-(4-methyl-1,3-thiazol-2-yl)propane-1,3-diamine
CID 60870998
4-N-ethyl-4-N-(4-methyl-1,3-thiazol-2-yl)cyclohexane-1,4-diamine
CID 79112426
N'-cyclohexyl-N'-(5-methyl-1,3,4-thiadiazol-2-yl)propane-1,3-diamine
CID 65209033
N'-cyclopropyl-N'-(3-methyl-1,2,4-thiadiazol-5-yl)propane-1,3-diamine
CID 65268016
3-[cyclobutyl-(4-ethyl-1,3-thiazol-2-yl)amino]propan-1-ol
CID 102846790
N'-cyclopentyl-N'-(6-methyl-2-pyridinyl)propane-1,3-diamine
CID 60877562
N'-cyclohexyl-N'-(2,6-dimethylpyrimidin-4-yl)propane-1,3-diamine
CID 54939100
N'-cyclohexyl-N'-(1,2,4-thiadiazol-5-yl)propane-1,3-diamine
CID 65270703
N'-(3-tert-butyl-1,2,4-thiadiazol-5-yl)-N'-cyclopentylpropane-1,3-diamine
CID 65270547
2-[(4-chloro-1,3-thiazol-2-yl)-cyclobutylamino]ethanol
CID 102865906

Frequently Asked Questions

What is the IUPAC name of N'-cyclobutyl-N'-(4-methyl-1,3-thiazol-2-yl)propane-1,3-diamine?
The IUPAC name of N'-cyclobutyl-N'-(4-methyl-1,3-thiazol-2-yl)propane-1,3-diamine (CID 102874488) is N'-cyclobutyl-N'-(4-methyl-1,3-thiazol-2-yl)propane-1,3-diamine.
What is the SMILES notation for N'-cyclobutyl-N'-(4-methyl-1,3-thiazol-2-yl)propane-1,3-diamine?
The canonical SMILES for N'-cyclobutyl-N'-(4-methyl-1,3-thiazol-2-yl)propane-1,3-diamine is Cc1csc(N(CCCN)C2CCC2)n1.
What is the InChIKey of N'-cyclobutyl-N'-(4-methyl-1,3-thiazol-2-yl)propane-1,3-diamine?
The InChIKey is MKKMFCRGGMZLKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3S/c1-9-8-15-11(13-9)14(7-3-6-12)10-4-2-5-10/h8,10H,2-7,12H2,1H3.
What are the key properties of N'-cyclobutyl-N'-(4-methyl-1,3-thiazol-2-yl)propane-1,3-diamine?
N'-cyclobutyl-N'-(4-methyl-1,3-thiazol-2-yl)propane-1,3-diamine has a molecular weight of 225.36 g/mol, XLogP of 2.16, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-cyclobutyl-N'-(4-methyl-1,3-thiazol-2-yl)propane-1,3-diamine is sourced from PubChem (CID 102874488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).