N-methyl-5-(methylaminomethyl)-N-(4-methylpentan-2-yl)-4-propyl-1,3-thiazol-2-amine

C15H29N3S — CID 62768269

IUPACN-methyl-5-(methylaminomethyl)-N-(4-methylpentan-2-yl)-4-propyl-1,3-thiazol-2-amine
SMILESCCCc1nc(N(C)C(C)CC(C)C)sc1CNC
InChIInChI=1S/C15H29N3S/c1-7-8-13-14(10-16-5)19-15(17-13)18(6)12(4)9-11(2)3/h11-12,16H,7-10H2,1-6H3
InChIKeyJUJPGGKYXPWVOC-UHFFFAOYSA-N
MW283.48 g/mol
LogP3.69
Rot. Bonds8

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

N-methyl-5-(methylaminomethyl)-N-(4-methylpentan-2-yl)-4-propyl-1,3-thiazol-2-amine (PubChem CID 62768269) has the molecular formula C15H29N3S and a molecular weight of 283.48 g/mol. Its IUPAC name is N-methyl-5-(methylaminomethyl)-N-(4-methylpentan-2-yl)-4-propyl-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-methyl-5-(methylaminomethyl)-N-(4-methylpentan-2-yl)-4-propyl-1,3-thiazol-2-amine
PubChem CID62768269
Molecular FormulaC15H29N3S
Molecular Weight283.48 g/mol
Exact Mass283.21
IUPAC NameN-methyl-5-(methylaminomethyl)-N-(4-methylpentan-2-yl)-4-propyl-1,3-thiazol-2-amine
SMILESCCCc1nc(N(C)C(C)CC(C)C)sc1CNC
InChIInChI=1S/C15H29N3S/c1-7-8-13-14(10-16-5)19-15(17-13)18(6)12(4)9-11(2)3/h11-12,16H,7-10H2,1-6H3
InChIKeyJUJPGGKYXPWVOC-UHFFFAOYSA-N
XLogP3.69
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 ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-ethyl-N-methyl-N-(4-methylpentan-2-yl)-5-(propylaminomethyl)-1,3-thiazol-2-amine
CID 62768109
N-(2-methoxyethyl)-5-(methylaminomethyl)-N-(2-methylpropyl)-4-propyl-1,3-thiazol-2-amine
CID 62769254
N-methyl-5-[(2-methylpropylamino)methyl]-N-(1-methylsulfanylpropan-2-yl)-4-propyl-1,3-thiazol-2-amine
CID 115987996
N,N-dimethyl-N'-[5-(methylaminomethyl)-4-propyl-1,3-thiazol-2-yl]-N'-propylethane-1,2-diamine
CID 62767038
N-ethyl-N-(1-methoxypropan-2-yl)-5-(methylaminomethyl)-4-propyl-1,3-thiazol-2-amine
CID 55117369
5-(ethylaminomethyl)-N-methyl-N-(4-methylpentan-2-yl)-4-propan-2-yl-1,3-thiazol-2-amine
CID 79392937
N-methyl-5-(methylaminomethyl)-N-pentan-2-yl-4-propan-2-yl-1,3-thiazol-2-amine
CID 79395621
N,4-diethyl-5-(methylaminomethyl)-N-propan-2-yl-1,3-thiazol-2-amine
CID 62767433
5-(aminomethyl)-N-butan-2-yl-N-methyl-4-propyl-1,3-thiazol-2-amine
CID 62767782
N-butan-2-yl-5-[(2-methoxyethylamino)methyl]-N-methyl-4-propyl-1,3-thiazol-2-amine
CID 62767611
N-(2-methoxyethyl)-N-(1-methoxypropan-2-yl)-5-(methylaminomethyl)-4-propyl-1,3-thiazol-2-amine
CID 62766894
N,N-bis(2-methoxyethyl)-5-(methylaminomethyl)-4-propyl-1,3-thiazol-2-amine
CID 62768441

Frequently Asked Questions

What is the IUPAC name of N-methyl-5-(methylaminomethyl)-N-(4-methylpentan-2-yl)-4-propyl-1,3-thiazol-2-amine?
The IUPAC name of N-methyl-5-(methylaminomethyl)-N-(4-methylpentan-2-yl)-4-propyl-1,3-thiazol-2-amine (CID 62768269) is N-methyl-5-(methylaminomethyl)-N-(4-methylpentan-2-yl)-4-propyl-1,3-thiazol-2-amine.
What is the SMILES notation for N-methyl-5-(methylaminomethyl)-N-(4-methylpentan-2-yl)-4-propyl-1,3-thiazol-2-amine?
The canonical SMILES for N-methyl-5-(methylaminomethyl)-N-(4-methylpentan-2-yl)-4-propyl-1,3-thiazol-2-amine is CCCc1nc(N(C)C(C)CC(C)C)sc1CNC.
What is the InChIKey of N-methyl-5-(methylaminomethyl)-N-(4-methylpentan-2-yl)-4-propyl-1,3-thiazol-2-amine?
The InChIKey is JUJPGGKYXPWVOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29N3S/c1-7-8-13-14(10-16-5)19-15(17-13)18(6)12(4)9-11(2)3/h11-12,16H,7-10H2,1-6H3.
What are the key properties of N-methyl-5-(methylaminomethyl)-N-(4-methylpentan-2-yl)-4-propyl-1,3-thiazol-2-amine?
N-methyl-5-(methylaminomethyl)-N-(4-methylpentan-2-yl)-4-propyl-1,3-thiazol-2-amine has a molecular weight of 283.48 g/mol, XLogP of 3.69, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-5-(methylaminomethyl)-N-(4-methylpentan-2-yl)-4-propyl-1,3-thiazol-2-amine is sourced from PubChem (CID 62768269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).