N-butan-2-yl-4-[2-[2-(dimethylamino)ethyl]-1,3-thiazol-5-yl]-1,3-thiazol-2-amine

C14H22N4S2 — CID 82424904

IUPACN-butan-2-yl-4-[2-[2-(dimethylamino)ethyl]-1,3-thiazol-5-yl]-1,3-thiazol-2-amine
SMILESCCC(C)Nc1nc(-c2cnc(CCN(C)C)s2)cs1
InChIInChI=1S/C14H22N4S2/c1-5-10(2)16-14-17-11(9-19-14)12-8-15-13(20-12)6-7-18(3)4/h8-10H,5-7H2,1-4H3,(H,16,17)
InChIKeyOXCJNICEGPAQON-UHFFFAOYSA-N
MW310.49 g/mol
LogP3.58
Rot. Bonds7

About N-butan-2-yl-4-[2-[2-(dimethylamino)ethyl]-1,3-thiazol-5-yl]-1,3-thiazol-2-amine

N-butan-2-yl-4-[2-[2-(dimethylamino)ethyl]-1,3-thiazol-5-yl]-1,3-thiazol-2-amine (PubChem CID 82424904) has the molecular formula C14H22N4S2 and a molecular weight of 310.49 g/mol. Its IUPAC name is N-butan-2-yl-4-[2-[2-(dimethylamino)ethyl]-1,3-thiazol-5-yl]-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-butan-2-yl-4-[2-[2-(dimethylamino)ethyl]-1,3-thiazol-5-yl]-1,3-thiazol-2-amine
PubChem CID82424904
Molecular FormulaC14H22N4S2
Molecular Weight310.49 g/mol
Exact Mass310.13
IUPAC NameN-butan-2-yl-4-[2-[2-(dimethylamino)ethyl]-1,3-thiazol-5-yl]-1,3-thiazol-2-amine
SMILESCCC(C)Nc1nc(-c2cnc(CCN(C)C)s2)cs1
InChIInChI=1S/C14H22N4S2/c1-5-10(2)16-14-17-11(9-19-14)12-8-15-13(20-12)6-7-18(3)4/h8-10H,5-7H2,1-4H3,(H,16,17)
InChIKeyOXCJNICEGPAQON-UHFFFAOYSA-N
XLogP3.58
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 ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-butan-2-yl-4-[2-[2-(dimethylamino)ethyl]-1,3-thiazol-5-yl]-1,3-thiazol-2-amine with MolForge

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Related Compounds

N-butan-2-yl-4-[2-(2-methylpropyl)-1,3-thiazol-5-yl]-1,3-thiazol-2-amine
CID 82423578
N-(2-methylpropyl)-4-(2-propyl-1,3-thiazol-5-yl)-1,3-thiazol-2-amine
CID 82422498
4-[2-(2-methylpropyl)-1,3-thiazol-5-yl]-N-propan-2-yl-1,3-thiazol-2-amine
CID 82423575
4-[2-[(dimethylamino)methyl]-1,3-thiazol-5-yl]-N-(2-methylpropyl)-1,3-thiazol-2-amine
CID 82424630
4-[2-(ethylsulfanylmethyl)-1,3-thiazol-5-yl]-N-propan-2-yl-1,3-thiazol-2-amine
CID 82423315
4-[2-(diethylaminomethyl)-1,3-thiazol-5-yl]-N-ethyl-1,3-thiazol-2-amine
CID 82424663
4-[2-[2-(dimethylamino)ethyl]-4-methyl-1,3-thiazol-5-yl]-N-propan-2-yl-1,3-thiazol-2-amine
CID 82427609
N-butan-2-yl-5-(2-propyl-1,3-thiazol-5-yl)-1,3,4-thiadiazol-2-amine
CID 82422488
4-[2-(2-methoxyethyl)-1,3-thiazol-5-yl]-N-(2-methylpropyl)-1,3-thiazol-2-amine
CID 82422365
N-butan-2-yl-4-(4-cyclopropyl-2-ethyl-1,3-thiazol-5-yl)-1,3-thiazol-2-amine
CID 82435926
N-butan-2-yl-4-(4-ethyl-2-propan-2-yl-1,3-thiazol-5-yl)-1,3-thiazol-2-amine
CID 82428283
N-butan-2-yl-5-[2-(2-methoxyethyl)-1,3-thiazol-5-yl]-1,3,4-thiadiazol-2-amine
CID 82422355

Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-4-[2-[2-(dimethylamino)ethyl]-1,3-thiazol-5-yl]-1,3-thiazol-2-amine?
The IUPAC name of N-butan-2-yl-4-[2-[2-(dimethylamino)ethyl]-1,3-thiazol-5-yl]-1,3-thiazol-2-amine (CID 82424904) is N-butan-2-yl-4-[2-[2-(dimethylamino)ethyl]-1,3-thiazol-5-yl]-1,3-thiazol-2-amine.
What is the SMILES notation for N-butan-2-yl-4-[2-[2-(dimethylamino)ethyl]-1,3-thiazol-5-yl]-1,3-thiazol-2-amine?
The canonical SMILES for N-butan-2-yl-4-[2-[2-(dimethylamino)ethyl]-1,3-thiazol-5-yl]-1,3-thiazol-2-amine is CCC(C)Nc1nc(-c2cnc(CCN(C)C)s2)cs1.
What is the InChIKey of N-butan-2-yl-4-[2-[2-(dimethylamino)ethyl]-1,3-thiazol-5-yl]-1,3-thiazol-2-amine?
The InChIKey is OXCJNICEGPAQON-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4S2/c1-5-10(2)16-14-17-11(9-19-14)12-8-15-13(20-12)6-7-18(3)4/h8-10H,5-7H2,1-4H3,(H,16,17).
What are the key properties of N-butan-2-yl-4-[2-[2-(dimethylamino)ethyl]-1,3-thiazol-5-yl]-1,3-thiazol-2-amine?
N-butan-2-yl-4-[2-[2-(dimethylamino)ethyl]-1,3-thiazol-5-yl]-1,3-thiazol-2-amine has a molecular weight of 310.49 g/mol, XLogP of 3.58, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-butan-2-yl-4-[2-[2-(dimethylamino)ethyl]-1,3-thiazol-5-yl]-1,3-thiazol-2-amine is sourced from PubChem (CID 82424904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).