5-(aminomethyl)-N-butan-2-yl-N-methyl-4-propyl-1,3-thiazol-2-amine

C12H23N3S — CID 62767782

IUPAC5-(aminomethyl)-N-butan-2-yl-N-methyl-4-propyl-1,3-thiazol-2-amine
SMILESCCCc1nc(N(C)C(C)CC)sc1CN
InChIInChI=1S/C12H23N3S/c1-5-7-10-11(8-13)16-12(14-10)15(4)9(3)6-2/h9H,5-8,13H2,1-4H3
InChIKeyAEHYCZBVBYOTAR-UHFFFAOYSA-N
MW241.40 g/mol
LogP2.79
Rot. Bonds6

About 5-(aminomethyl)-N-butan-2-yl-N-methyl-4-propyl-1,3-thiazol-2-amine

5-(aminomethyl)-N-butan-2-yl-N-methyl-4-propyl-1,3-thiazol-2-amine (PubChem CID 62767782) has the molecular formula C12H23N3S and a molecular weight of 241.40 g/mol. Its IUPAC name is 5-(aminomethyl)-N-butan-2-yl-N-methyl-4-propyl-1,3-thiazol-2-amine.

Molecular Properties

Compound Name5-(aminomethyl)-N-butan-2-yl-N-methyl-4-propyl-1,3-thiazol-2-amine
PubChem CID62767782
Molecular FormulaC12H23N3S
Molecular Weight241.40 g/mol
Exact Mass241.16
IUPAC Name5-(aminomethyl)-N-butan-2-yl-N-methyl-4-propyl-1,3-thiazol-2-amine
SMILESCCCc1nc(N(C)C(C)CC)sc1CN
InChIInChI=1S/C12H23N3S/c1-5-7-10-11(8-13)16-12(14-10)15(4)9(3)6-2/h9H,5-8,13H2,1-4H3
InChIKeyAEHYCZBVBYOTAR-UHFFFAOYSA-N
XLogP2.79
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.40
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-(aminomethyl)-N-ethyl-N-propan-2-yl-4-propyl-1,3-thiazol-2-amine
CID 62769337
5-(aminomethyl)-N-cyclopropyl-N-methyl-4-propyl-1,3-thiazol-2-amine
CID 62766909
5-(aminomethyl)-N-propan-2-yl-N,4-dipropyl-1,3-thiazol-2-amine
CID 62766923
N'-[5-(aminomethyl)-4-propyl-1,3-thiazol-2-yl]-N,N,N'-trimethylethane-1,2-diamine
CID 55225632
(2-propan-2-yl-4-propyl-1,3-thiazol-5-yl)methanamine
CID 82431364
N'-[5-(aminomethyl)-4-propyl-1,3-thiazol-2-yl]-N,N-dimethyl-N'-(2-methylpropyl)ethane-1,2-diamine
CID 62769245
N-butan-2-yl-5-[(2-methoxyethylamino)methyl]-N-methyl-4-propyl-1,3-thiazol-2-amine
CID 62767611
5-(aminomethyl)-N-ethyl-N,4-dipropyl-1,3-thiazol-2-amine
CID 62768644
N-methyl-5-(methylaminomethyl)-N-(4-methylpentan-2-yl)-4-propyl-1,3-thiazol-2-amine
CID 62768269
5-(aminomethyl)-N-methyl-N-(2-methylphenyl)-4-propyl-1,3-thiazol-2-amine
CID 62769284
5-(aminomethyl)-N,N-bis(2-ethoxyethyl)-4-propyl-1,3-thiazol-2-amine
CID 82943286
5-(aminomethyl)-N-[(4-fluorophenyl)methyl]-N-methyl-4-propyl-1,3-thiazol-2-amine
CID 62778968

Frequently Asked Questions

What is the IUPAC name of 5-(aminomethyl)-N-butan-2-yl-N-methyl-4-propyl-1,3-thiazol-2-amine?
The IUPAC name of 5-(aminomethyl)-N-butan-2-yl-N-methyl-4-propyl-1,3-thiazol-2-amine (CID 62767782) is 5-(aminomethyl)-N-butan-2-yl-N-methyl-4-propyl-1,3-thiazol-2-amine.
What is the SMILES notation for 5-(aminomethyl)-N-butan-2-yl-N-methyl-4-propyl-1,3-thiazol-2-amine?
The canonical SMILES for 5-(aminomethyl)-N-butan-2-yl-N-methyl-4-propyl-1,3-thiazol-2-amine is CCCc1nc(N(C)C(C)CC)sc1CN.
What is the InChIKey of 5-(aminomethyl)-N-butan-2-yl-N-methyl-4-propyl-1,3-thiazol-2-amine?
The InChIKey is AEHYCZBVBYOTAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3S/c1-5-7-10-11(8-13)16-12(14-10)15(4)9(3)6-2/h9H,5-8,13H2,1-4H3.
What are the key properties of 5-(aminomethyl)-N-butan-2-yl-N-methyl-4-propyl-1,3-thiazol-2-amine?
5-(aminomethyl)-N-butan-2-yl-N-methyl-4-propyl-1,3-thiazol-2-amine has a molecular weight of 241.40 g/mol, XLogP of 2.79, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(aminomethyl)-N-butan-2-yl-N-methyl-4-propyl-1,3-thiazol-2-amine is sourced from PubChem (CID 62767782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).