N,N-diethyl-4-methyl-5-[2-(propylamino)-1,3-thiazol-4-yl]-1,3-thiazol-2-amine

C14H22N4S2 — CID 82427850

IUPACN,N-diethyl-4-methyl-5-[2-(propylamino)-1,3-thiazol-4-yl]-1,3-thiazol-2-amine
SMILESCCCNc1nc(-c2sc(N(CC)CC)nc2C)cs1
InChIInChI=1S/C14H22N4S2/c1-5-8-15-13-17-11(9-19-13)12-10(4)16-14(20-12)18(6-2)7-3/h9H,5-8H2,1-4H3,(H,15,17)
InChIKeyYAVICXMECNDABO-UHFFFAOYSA-N
MW310.49 g/mol
LogP4.24
Rot. Bonds7

About N,N-diethyl-4-methyl-5-[2-(propylamino)-1,3-thiazol-4-yl]-1,3-thiazol-2-amine

N,N-diethyl-4-methyl-5-[2-(propylamino)-1,3-thiazol-4-yl]-1,3-thiazol-2-amine (PubChem CID 82427850) has the molecular formula C14H22N4S2 and a molecular weight of 310.49 g/mol. Its IUPAC name is N,N-diethyl-4-methyl-5-[2-(propylamino)-1,3-thiazol-4-yl]-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN,N-diethyl-4-methyl-5-[2-(propylamino)-1,3-thiazol-4-yl]-1,3-thiazol-2-amine
PubChem CID82427850
Molecular FormulaC14H22N4S2
Molecular Weight310.49 g/mol
Exact Mass310.13
IUPAC NameN,N-diethyl-4-methyl-5-[2-(propylamino)-1,3-thiazol-4-yl]-1,3-thiazol-2-amine
SMILESCCCNc1nc(-c2sc(N(CC)CC)nc2C)cs1
InChIInChI=1S/C14H22N4S2/c1-5-8-15-13-17-11(9-19-13)12-10(4)16-14(20-12)18(6-2)7-3/h9H,5-8H2,1-4H3,(H,15,17)
InChIKeyYAVICXMECNDABO-UHFFFAOYSA-N
XLogP4.24
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 ≤ 54.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

5-[2-(2-methoxyethylamino)-1,3-thiazol-4-yl]-N,N,4-trimethyl-1,3-thiazol-2-amine
CID 82427826
4-(2-methyl-4-propyl-1,3-thiazol-5-yl)-N-propyl-1,3-thiazol-2-amine
CID 82431258
4-[2-ethyl-4-(methoxymethyl)-1,3-thiazol-5-yl]-N-propyl-1,3-thiazol-2-amine
CID 82439938
4-(2,6-difluorophenyl)-N-propyl-1,3-thiazol-2-amine
CID 60676021
4-[2-(methoxymethyl)-1,3-thiazol-4-yl]-N-propyl-1,3-thiazol-2-amine
CID 82515705
4-[4-ethyl-2-(2-methylpropyl)-1,3-thiazol-5-yl]-N-propyl-1,3-thiazol-2-amine
CID 82429537
N-butyl-4-[4-(methoxymethyl)-2-methyl-1,3-thiazol-5-yl]-1,3-thiazol-2-amine
CID 82439892
N-butyl-4-(4-tert-butyl-2-methyl-1,3-thiazol-5-yl)-1,3-thiazol-2-amine
CID 82438277
4-(2-methyl-6-propan-2-yl-3-pyridinyl)-N-propyl-1,3-thiazol-2-amine
CID 82452153
4-(2,4-dimethyl-1,3-thiazol-5-yl)-N-prop-2-enyl-1,3-thiazol-2-amine
CID 2902374
4-(3-methylphenyl)-N-propyl-1,3-thiazol-2-amine
CID 62943868
4-(4-cyclopropyl-2-propan-2-yl-1,3-thiazol-5-yl)-N-propyl-1,3-thiazol-2-amine
CID 82435996

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-4-methyl-5-[2-(propylamino)-1,3-thiazol-4-yl]-1,3-thiazol-2-amine?
The IUPAC name of N,N-diethyl-4-methyl-5-[2-(propylamino)-1,3-thiazol-4-yl]-1,3-thiazol-2-amine (CID 82427850) is N,N-diethyl-4-methyl-5-[2-(propylamino)-1,3-thiazol-4-yl]-1,3-thiazol-2-amine.
What is the SMILES notation for N,N-diethyl-4-methyl-5-[2-(propylamino)-1,3-thiazol-4-yl]-1,3-thiazol-2-amine?
The canonical SMILES for N,N-diethyl-4-methyl-5-[2-(propylamino)-1,3-thiazol-4-yl]-1,3-thiazol-2-amine is CCCNc1nc(-c2sc(N(CC)CC)nc2C)cs1.
What is the InChIKey of N,N-diethyl-4-methyl-5-[2-(propylamino)-1,3-thiazol-4-yl]-1,3-thiazol-2-amine?
The InChIKey is YAVICXMECNDABO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4S2/c1-5-8-15-13-17-11(9-19-13)12-10(4)16-14(20-12)18(6-2)7-3/h9H,5-8H2,1-4H3,(H,15,17).
What are the key properties of N,N-diethyl-4-methyl-5-[2-(propylamino)-1,3-thiazol-4-yl]-1,3-thiazol-2-amine?
N,N-diethyl-4-methyl-5-[2-(propylamino)-1,3-thiazol-4-yl]-1,3-thiazol-2-amine has a molecular weight of 310.49 g/mol, XLogP of 4.24, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-4-methyl-5-[2-(propylamino)-1,3-thiazol-4-yl]-1,3-thiazol-2-amine is sourced from PubChem (CID 82427850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).