N-(5-ethyl-4,5-dihydro-1,3-thiazol-2-yl)-N'-methyl-N'-propan-2-ylbutane-1,4-diamine

C13H27N3S — CID 113492449

IUPACN-(5-ethyl-4,5-dihydro-1,3-thiazol-2-yl)-N'-methyl-N'-propan-2-ylbutane-1,4-diamine
SMILESCCC1CN=C(NCCCCN(C)C(C)C)S1
InChIInChI=1S/C13H27N3S/c1-5-12-10-15-13(17-12)14-8-6-7-9-16(4)11(2)3/h11-12H,5-10H2,1-4H3,(H,14,15)
InChIKeyQIFVFJNLTVYKFM-UHFFFAOYSA-N
MW257.45 g/mol
LogP2.58
Rot. Bonds7

About N-(5-ethyl-4,5-dihydro-1,3-thiazol-2-yl)-N'-methyl-N'-propan-2-ylbutane-1,4-diamine

N-(5-ethyl-4,5-dihydro-1,3-thiazol-2-yl)-N'-methyl-N'-propan-2-ylbutane-1,4-diamine (PubChem CID 113492449) has the molecular formula C13H27N3S and a molecular weight of 257.45 g/mol. Its IUPAC name is N-(5-ethyl-4,5-dihydro-1,3-thiazol-2-yl)-N'-methyl-N'-propan-2-ylbutane-1,4-diamine.

Molecular Properties

Compound NameN-(5-ethyl-4,5-dihydro-1,3-thiazol-2-yl)-N'-methyl-N'-propan-2-ylbutane-1,4-diamine
PubChem CID113492449
Molecular FormulaC13H27N3S
Molecular Weight257.45 g/mol
Exact Mass257.19
IUPAC NameN-(5-ethyl-4,5-dihydro-1,3-thiazol-2-yl)-N'-methyl-N'-propan-2-ylbutane-1,4-diamine
SMILESCCC1CN=C(NCCCCN(C)C(C)C)S1
InChIInChI=1S/C13H27N3S/c1-5-12-10-15-13(17-12)14-8-6-7-9-16(4)11(2)3/h11-12H,5-10H2,1-4H3,(H,14,15)
InChIKeyQIFVFJNLTVYKFM-UHFFFAOYSA-N
XLogP2.58
TPSA27.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.45
LogP ≤ 52.58
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

5-(2,2-dimethylpropyl)-N-(5-methylhexyl)-4,5-dihydro-1,3-thiazol-2-amine
CID 107154622
N-[5-(2-methylpropyl)-4,5-dihydro-1,3-thiazol-2-yl]-N',N'-di(propan-2-yl)ethane-1,2-diamine
CID 107153702
N-butyl-5-(2,2-dimethylpropyl)-4,5-dihydro-1,3-thiazol-2-amine
CID 107153761
N-[5-(2,2-dimethylpropyl)-4,5-dihydro-1,3-thiazol-2-yl]-N',N'-diethylpropane-1,3-diamine
CID 107153856
5-ethyl-N-(3-methylpentan-3-yl)-4,5-dihydro-1,3-thiazol-2-amine
CID 106330136
N',N'-dimethyl-N-(5-pentan-3-yl-4,5-dihydro-1,3-thiazol-2-yl)propane-1,3-diamine
CID 114168305
N-[2-(5-bromothiophen-2-yl)ethyl]-5-ethyl-4,5-dihydro-1,3-thiazol-2-amine
CID 106049491
N-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)-N'-methyl-N'-propan-2-ylbutane-1,4-diamine
CID 65276688
methyl 3-[[5-(2-methylpropyl)-4,5-dihydro-1,3-thiazol-2-yl]amino]propanoate
CID 107154044
6-N-ethyl-2,5-dimethyl-4-N-[4-[methyl(propan-2-yl)amino]butyl]pyrimidine-4,6-diamine
CID 80795484
N,N'-dimethyl-N'-propan-2-ylbutane-1,4-diamine
CID 57031301
N-(1-cyclopropylimidazol-2-yl)-N'-methyl-N'-propan-2-ylbutane-1,4-diamine
CID 106565754

Frequently Asked Questions

What is the IUPAC name of N-(5-ethyl-4,5-dihydro-1,3-thiazol-2-yl)-N'-methyl-N'-propan-2-ylbutane-1,4-diamine?
The IUPAC name of N-(5-ethyl-4,5-dihydro-1,3-thiazol-2-yl)-N'-methyl-N'-propan-2-ylbutane-1,4-diamine (CID 113492449) is N-(5-ethyl-4,5-dihydro-1,3-thiazol-2-yl)-N'-methyl-N'-propan-2-ylbutane-1,4-diamine.
What is the SMILES notation for N-(5-ethyl-4,5-dihydro-1,3-thiazol-2-yl)-N'-methyl-N'-propan-2-ylbutane-1,4-diamine?
The canonical SMILES for N-(5-ethyl-4,5-dihydro-1,3-thiazol-2-yl)-N'-methyl-N'-propan-2-ylbutane-1,4-diamine is CCC1CN=C(NCCCCN(C)C(C)C)S1.
What is the InChIKey of N-(5-ethyl-4,5-dihydro-1,3-thiazol-2-yl)-N'-methyl-N'-propan-2-ylbutane-1,4-diamine?
The InChIKey is QIFVFJNLTVYKFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27N3S/c1-5-12-10-15-13(17-12)14-8-6-7-9-16(4)11(2)3/h11-12H,5-10H2,1-4H3,(H,14,15).
What are the key properties of N-(5-ethyl-4,5-dihydro-1,3-thiazol-2-yl)-N'-methyl-N'-propan-2-ylbutane-1,4-diamine?
N-(5-ethyl-4,5-dihydro-1,3-thiazol-2-yl)-N'-methyl-N'-propan-2-ylbutane-1,4-diamine has a molecular weight of 257.45 g/mol, XLogP of 2.58, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-ethyl-4,5-dihydro-1,3-thiazol-2-yl)-N'-methyl-N'-propan-2-ylbutane-1,4-diamine is sourced from PubChem (CID 113492449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).