N-(2-methylpropyl)-N-propan-2-yl-5-(propylaminomethyl)-1,3-thiazol-2-amine

C14H27N3S — CID 62752743

IUPACN-(2-methylpropyl)-N-propan-2-yl-5-(propylaminomethyl)-1,3-thiazol-2-amine
SMILESCCCNCc1cnc(N(CC(C)C)C(C)C)s1
InChIInChI=1S/C14H27N3S/c1-6-7-15-8-13-9-16-14(18-13)17(12(4)5)10-11(2)3/h9,11-12,15H,6-8,10H2,1-5H3
InChIKeyIOUXOCGPMKPOGK-UHFFFAOYSA-N
MW269.46 g/mol
LogP3.51
Rot. Bonds8

About N-(2-methylpropyl)-N-propan-2-yl-5-(propylaminomethyl)-1,3-thiazol-2-amine

N-(2-methylpropyl)-N-propan-2-yl-5-(propylaminomethyl)-1,3-thiazol-2-amine (PubChem CID 62752743) has the molecular formula C14H27N3S and a molecular weight of 269.46 g/mol. Its IUPAC name is N-(2-methylpropyl)-N-propan-2-yl-5-(propylaminomethyl)-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-(2-methylpropyl)-N-propan-2-yl-5-(propylaminomethyl)-1,3-thiazol-2-amine
PubChem CID62752743
Molecular FormulaC14H27N3S
Molecular Weight269.46 g/mol
Exact Mass269.19
IUPAC NameN-(2-methylpropyl)-N-propan-2-yl-5-(propylaminomethyl)-1,3-thiazol-2-amine
SMILESCCCNCc1cnc(N(CC(C)C)C(C)C)s1
InChIInChI=1S/C14H27N3S/c1-6-7-15-8-13-9-16-14(18-13)17(12(4)5)10-11(2)3/h9,11-12,15H,6-8,10H2,1-5H3
InChIKeyIOUXOCGPMKPOGK-UHFFFAOYSA-N
XLogP3.51
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.46
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-pentyl-N-propan-2-yl-5-(propylaminomethyl)-1,3-thiazol-2-amine
CID 62754981
N-methyl-N-pentan-2-yl-5-(propylaminomethyl)-1,3-thiazol-2-amine
CID 62749940
N-ethyl-5-[(2-methylpropylamino)methyl]-N-propan-2-yl-1,3-thiazol-2-amine
CID 55112531
N-(2-methylpropyl)-5-[(2-methylpropylamino)methyl]-N-pentan-3-yl-1,3-thiazol-2-amine
CID 79489079
N-[(2-propan-2-yl-1,3-thiazol-5-yl)methyl]propan-1-amine
CID 61282504
5-(ethylaminomethyl)-N-(2-methoxyethyl)-N-propan-2-yl-1,3-thiazol-2-amine
CID 82966301
5-[(2-methoxyethylamino)methyl]-N-methyl-N-(2-methylpropyl)-1,3-thiazol-2-amine
CID 62750089
N-[[2-(diethylamino)-1,3-thiazol-5-yl]methyl]-N',N'-di(propan-2-yl)ethane-1,2-diamine
CID 43757506
N-cyclopropyl-N-propyl-5-(propylaminomethyl)-1,3-thiazol-2-amine
CID 62749927
N-methyl-N-(2-methylsulfonylethyl)-5-(propylaminomethyl)-1,3-thiazol-2-amine
CID 79858515
N-(cyclopropylmethyl)-5-[(2-methylpropylamino)methyl]-N-propan-2-yl-1,3-thiazol-2-amine
CID 62752929
N-(4-methoxyphenyl)-N-methyl-5-(propylaminomethyl)-1,3-thiazol-2-amine
CID 62752896

Frequently Asked Questions

What is the IUPAC name of N-(2-methylpropyl)-N-propan-2-yl-5-(propylaminomethyl)-1,3-thiazol-2-amine?
The IUPAC name of N-(2-methylpropyl)-N-propan-2-yl-5-(propylaminomethyl)-1,3-thiazol-2-amine (CID 62752743) is N-(2-methylpropyl)-N-propan-2-yl-5-(propylaminomethyl)-1,3-thiazol-2-amine.
What is the SMILES notation for N-(2-methylpropyl)-N-propan-2-yl-5-(propylaminomethyl)-1,3-thiazol-2-amine?
The canonical SMILES for N-(2-methylpropyl)-N-propan-2-yl-5-(propylaminomethyl)-1,3-thiazol-2-amine is CCCNCc1cnc(N(CC(C)C)C(C)C)s1.
What is the InChIKey of N-(2-methylpropyl)-N-propan-2-yl-5-(propylaminomethyl)-1,3-thiazol-2-amine?
The InChIKey is IOUXOCGPMKPOGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N3S/c1-6-7-15-8-13-9-16-14(18-13)17(12(4)5)10-11(2)3/h9,11-12,15H,6-8,10H2,1-5H3.
What are the key properties of N-(2-methylpropyl)-N-propan-2-yl-5-(propylaminomethyl)-1,3-thiazol-2-amine?
N-(2-methylpropyl)-N-propan-2-yl-5-(propylaminomethyl)-1,3-thiazol-2-amine has a molecular weight of 269.46 g/mol, XLogP of 3.51, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylpropyl)-N-propan-2-yl-5-(propylaminomethyl)-1,3-thiazol-2-amine is sourced from PubChem (CID 62752743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).