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

C15H29N3S — CID 62768303

IUPACN-butan-2-yl-N,4-diethyl-5-[(propan-2-ylamino)methyl]-1,3-thiazol-2-amine
SMILESCCc1nc(N(CC)C(C)CC)sc1CNC(C)C
InChIInChI=1S/C15H29N3S/c1-7-12(6)18(9-3)15-17-13(8-2)14(19-15)10-16-11(4)5/h11-12,16H,7-10H2,1-6H3
InChIKeyGBZROKPKMYTSBN-UHFFFAOYSA-N
MW283.48 g/mol
LogP3.83
Rot. Bonds8

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

N-butan-2-yl-N,4-diethyl-5-[(propan-2-ylamino)methyl]-1,3-thiazol-2-amine (PubChem CID 62768303) has the molecular formula C15H29N3S and a molecular weight of 283.48 g/mol. Its IUPAC name is N-butan-2-yl-N,4-diethyl-5-[(propan-2-ylamino)methyl]-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-butan-2-yl-N,4-diethyl-5-[(propan-2-ylamino)methyl]-1,3-thiazol-2-amine
PubChem CID62768303
Molecular FormulaC15H29N3S
Molecular Weight283.48 g/mol
Exact Mass283.21
IUPAC NameN-butan-2-yl-N,4-diethyl-5-[(propan-2-ylamino)methyl]-1,3-thiazol-2-amine
SMILESCCc1nc(N(CC)C(C)CC)sc1CNC(C)C
InChIInChI=1S/C15H29N3S/c1-7-12(6)18(9-3)15-17-13(8-2)14(19-15)10-16-11(4)5/h11-12,16H,7-10H2,1-6H3
InChIKeyGBZROKPKMYTSBN-UHFFFAOYSA-N
XLogP3.83
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.48
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-butan-2-yl-N,4-diethyl-5-[(propan-2-ylamino)methyl]-1,3-thiazol-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-butan-2-yl-N,4-diethyl-5-(methylaminomethyl)-1,3-thiazol-2-amine
CID 62768131
N,4-diethyl-5-(methylaminomethyl)-N-propan-2-yl-1,3-thiazol-2-amine
CID 62767433
N-(cyclopropylmethyl)-4-ethyl-N-methyl-5-[(propan-2-ylamino)methyl]-1,3-thiazol-2-amine
CID 55117701
5-[(butan-2-ylamino)methyl]-4-ethyl-N,N-dimethyl-1,3-thiazol-2-amine
CID 82430873
N-(1-cyclopropylethyl)-4-ethyl-N-methyl-5-[(propan-2-ylamino)methyl]-1,3-thiazol-2-amine
CID 62768154
N-butan-2-yl-N-ethyl-4-(methoxymethyl)-5-[(2-methylpropylamino)methyl]-1,3-thiazol-2-amine
CID 107509731
N-butan-2-yl-N-ethyl-5-(ethylaminomethyl)-4-propan-2-yl-1,3-thiazol-2-amine
CID 79396441
N-butan-2-yl-N-ethyl-5-[(propan-2-ylamino)methyl]-1,3-thiazol-2-amine
CID 62750265
4-ethyl-N-methyl-5-[(propan-2-ylamino)methyl]-N-(thiophen-2-ylmethyl)-1,3-thiazol-2-amine
CID 62766762
N-[[4-ethyl-2-(1-methoxyethyl)-1,3-thiazol-5-yl]methyl]propan-2-amine
CID 104841630
5-(aminomethyl)-N-butan-2-yl-N-ethyl-4-(methoxymethyl)-1,3-thiazol-2-amine
CID 107509729
4-ethyl-N-methyl-N-(1-methylpiperidin-3-yl)-5-[(propan-2-ylamino)methyl]-1,3-thiazol-2-amine
CID 62768706

Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-N,4-diethyl-5-[(propan-2-ylamino)methyl]-1,3-thiazol-2-amine?
The IUPAC name of N-butan-2-yl-N,4-diethyl-5-[(propan-2-ylamino)methyl]-1,3-thiazol-2-amine (CID 62768303) is N-butan-2-yl-N,4-diethyl-5-[(propan-2-ylamino)methyl]-1,3-thiazol-2-amine.
What is the SMILES notation for N-butan-2-yl-N,4-diethyl-5-[(propan-2-ylamino)methyl]-1,3-thiazol-2-amine?
The canonical SMILES for N-butan-2-yl-N,4-diethyl-5-[(propan-2-ylamino)methyl]-1,3-thiazol-2-amine is CCc1nc(N(CC)C(C)CC)sc1CNC(C)C.
What is the InChIKey of N-butan-2-yl-N,4-diethyl-5-[(propan-2-ylamino)methyl]-1,3-thiazol-2-amine?
The InChIKey is GBZROKPKMYTSBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29N3S/c1-7-12(6)18(9-3)15-17-13(8-2)14(19-15)10-16-11(4)5/h11-12,16H,7-10H2,1-6H3.
What are the key properties of N-butan-2-yl-N,4-diethyl-5-[(propan-2-ylamino)methyl]-1,3-thiazol-2-amine?
N-butan-2-yl-N,4-diethyl-5-[(propan-2-ylamino)methyl]-1,3-thiazol-2-amine has a molecular weight of 283.48 g/mol, XLogP of 3.83, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-butan-2-yl-N,4-diethyl-5-[(propan-2-ylamino)methyl]-1,3-thiazol-2-amine is sourced from PubChem (CID 62768303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).