4-[2-(diethylaminomethyl)-1,3-thiazol-4-yl]-N-propan-2-yl-1,3-thiazol-2-amine

C14H22N4S2 — CID 82515628

IUPAC4-[2-(diethylaminomethyl)-1,3-thiazol-4-yl]-N-propan-2-yl-1,3-thiazol-2-amine
SMILESCCN(CC)Cc1nc(-c2csc(NC(C)C)n2)cs1
InChIInChI=1S/C14H22N4S2/c1-5-18(6-2)7-13-16-11(8-19-13)12-9-20-14(17-12)15-10(3)4/h8-10H,5-7H2,1-4H3,(H,15,17)
InChIKeyPGXNDTBPUSKFGQ-UHFFFAOYSA-N
MW310.49 g/mol
LogP3.93
Rot. Bonds7

About 4-[2-(diethylaminomethyl)-1,3-thiazol-4-yl]-N-propan-2-yl-1,3-thiazol-2-amine

4-[2-(diethylaminomethyl)-1,3-thiazol-4-yl]-N-propan-2-yl-1,3-thiazol-2-amine (PubChem CID 82515628) has the molecular formula C14H22N4S2 and a molecular weight of 310.49 g/mol. Its IUPAC name is 4-[2-(diethylaminomethyl)-1,3-thiazol-4-yl]-N-propan-2-yl-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-[2-(diethylaminomethyl)-1,3-thiazol-4-yl]-N-propan-2-yl-1,3-thiazol-2-amine
PubChem CID82515628
Molecular FormulaC14H22N4S2
Molecular Weight310.49 g/mol
Exact Mass310.13
IUPAC Name4-[2-(diethylaminomethyl)-1,3-thiazol-4-yl]-N-propan-2-yl-1,3-thiazol-2-amine
SMILESCCN(CC)Cc1nc(-c2csc(NC(C)C)n2)cs1
InChIInChI=1S/C14H22N4S2/c1-5-18(6-2)7-13-16-11(8-19-13)12-9-20-14(17-12)15-10(3)4/h8-10H,5-7H2,1-4H3,(H,15,17)
InChIKeyPGXNDTBPUSKFGQ-UHFFFAOYSA-N
XLogP3.93
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.49
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-(2-ethyl-4-propan-2-yl-1,3-thiazol-5-yl)-N-propan-2-yl-1,3-thiazol-2-amine
CID 82433621
4-[2-(diethylaminomethyl)-1,3-thiazol-5-yl]-N-ethyl-1,3-thiazol-2-amine
CID 82424663
4-(2-ethyl-4-methyl-1,3-thiazol-5-yl)-N-propan-2-yl-1,3-thiazol-2-amine
CID 82425564
4-(5-ethylthiophen-2-yl)-N-propan-2-yl-1,3-thiazol-2-amine
CID 8750708
4-[2-(diethylaminomethyl)-4-ethyl-1,3-thiazol-5-yl]-N-methyl-1,3-thiazol-2-amine
CID 82430456
4-(4-iodophenyl)-N-propan-2-yl-1,3-thiazol-2-amine
CID 103601292
4-[2-(2-methylpropyl)-1,3-thiazol-5-yl]-N-propan-2-yl-1,3-thiazol-2-amine
CID 82423575
4-[2-(ethylsulfanylmethyl)-1,3-thiazol-5-yl]-N-propan-2-yl-1,3-thiazol-2-amine
CID 82423315
N,N-dimethyl-4-propan-2-yl-5-[2-(propan-2-ylamino)-1,3-thiazol-4-yl]-1,3-thiazol-2-amine
CID 82435562
4-(4-chlorophenyl)-N-propan-2-yl-1,3-thiazol-2-amine
CID 8878374
4-methyl-N-propan-2-yl-1,3-thiazol-2-amine
CID 841733
4-[2-[2-(dimethylamino)ethyl]-4-methyl-1,3-thiazol-5-yl]-N-propan-2-yl-1,3-thiazol-2-amine
CID 82427609

Frequently Asked Questions

What is the IUPAC name of 4-[2-(diethylaminomethyl)-1,3-thiazol-4-yl]-N-propan-2-yl-1,3-thiazol-2-amine?
The IUPAC name of 4-[2-(diethylaminomethyl)-1,3-thiazol-4-yl]-N-propan-2-yl-1,3-thiazol-2-amine (CID 82515628) is 4-[2-(diethylaminomethyl)-1,3-thiazol-4-yl]-N-propan-2-yl-1,3-thiazol-2-amine.
What is the SMILES notation for 4-[2-(diethylaminomethyl)-1,3-thiazol-4-yl]-N-propan-2-yl-1,3-thiazol-2-amine?
The canonical SMILES for 4-[2-(diethylaminomethyl)-1,3-thiazol-4-yl]-N-propan-2-yl-1,3-thiazol-2-amine is CCN(CC)Cc1nc(-c2csc(NC(C)C)n2)cs1.
What is the InChIKey of 4-[2-(diethylaminomethyl)-1,3-thiazol-4-yl]-N-propan-2-yl-1,3-thiazol-2-amine?
The InChIKey is PGXNDTBPUSKFGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4S2/c1-5-18(6-2)7-13-16-11(8-19-13)12-9-20-14(17-12)15-10(3)4/h8-10H,5-7H2,1-4H3,(H,15,17).
What are the key properties of 4-[2-(diethylaminomethyl)-1,3-thiazol-4-yl]-N-propan-2-yl-1,3-thiazol-2-amine?
4-[2-(diethylaminomethyl)-1,3-thiazol-4-yl]-N-propan-2-yl-1,3-thiazol-2-amine has a molecular weight of 310.49 g/mol, XLogP of 3.93, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(diethylaminomethyl)-1,3-thiazol-4-yl]-N-propan-2-yl-1,3-thiazol-2-amine is sourced from PubChem (CID 82515628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).