N-methyl-5-[(2-methylpropylamino)methyl]-N-(2-methylsulfanylethyl)-4-propan-2-yl-1,3-thiazol-2-amine

C15H29N3S2 — CID 115987930

IUPACN-methyl-5-[(2-methylpropylamino)methyl]-N-(2-methylsulfanylethyl)-4-propan-2-yl-1,3-thiazol-2-amine
SMILESCSCCN(C)c1nc(C(C)C)c(CNCC(C)C)s1
InChIInChI=1S/C15H29N3S2/c1-11(2)9-16-10-13-14(12(3)4)17-15(20-13)18(5)7-8-19-6/h11-12,16H,7-10H2,1-6H3
InChIKeyRTLBZNUAKHRBQP-UHFFFAOYSA-N
MW315.55 g/mol
LogP3.81
Rot. Bonds9

About N-methyl-5-[(2-methylpropylamino)methyl]-N-(2-methylsulfanylethyl)-4-propan-2-yl-1,3-thiazol-2-amine

N-methyl-5-[(2-methylpropylamino)methyl]-N-(2-methylsulfanylethyl)-4-propan-2-yl-1,3-thiazol-2-amine (PubChem CID 115987930) has the molecular formula C15H29N3S2 and a molecular weight of 315.55 g/mol. Its IUPAC name is N-methyl-5-[(2-methylpropylamino)methyl]-N-(2-methylsulfanylethyl)-4-propan-2-yl-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-methyl-5-[(2-methylpropylamino)methyl]-N-(2-methylsulfanylethyl)-4-propan-2-yl-1,3-thiazol-2-amine
PubChem CID115987930
Molecular FormulaC15H29N3S2
Molecular Weight315.55 g/mol
Exact Mass315.18
IUPAC NameN-methyl-5-[(2-methylpropylamino)methyl]-N-(2-methylsulfanylethyl)-4-propan-2-yl-1,3-thiazol-2-amine
SMILESCSCCN(C)c1nc(C(C)C)c(CNCC(C)C)s1
InChIInChI=1S/C15H29N3S2/c1-11(2)9-16-10-13-14(12(3)4)17-15(20-13)18(5)7-8-19-6/h11-12,16H,7-10H2,1-6H3
InChIKeyRTLBZNUAKHRBQP-UHFFFAOYSA-N
XLogP3.81
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.55
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-butyl-N-methyl-5-[(2-methylpropylamino)methyl]-4-propan-2-yl-1,3-thiazol-2-amine
CID 79395047
N-methyl-5-[(2-methylpropylamino)methyl]-N,4-di(propan-2-yl)-1,3-thiazol-2-amine
CID 79395694
N-butyl-4-ethyl-N-methyl-5-[(2-methylpropylamino)methyl]-1,3-thiazol-2-amine
CID 62766184
N-(1-methoxypropan-2-yl)-N-methyl-5-[(2-methylpropylamino)methyl]-4-propan-2-yl-1,3-thiazol-2-amine
CID 79382218
N'-[4-ethyl-5-[(2-methylpropylamino)methyl]-1,3-thiazol-2-yl]-N,N,N'-trimethylpropane-1,3-diamine
CID 63725858
5-(ethylaminomethyl)-N,4-dimethyl-N-(2-methylsulfanylethyl)-1,3-thiazol-2-amine
CID 112666477
4-ethyl-N-methyl-5-[(2-methylpropylamino)methyl]-N-(2-propan-2-yloxyethyl)-1,3-thiazol-2-amine
CID 81064695
N,N,N'-trimethyl-N'-[4-propan-2-yl-5-(propylaminomethyl)-1,3-thiazol-2-yl]propane-1,3-diamine
CID 79381980
N-ethyl-N,4-dimethyl-5-[(2-methylpropylamino)methyl]-1,3-thiazol-2-amine
CID 62764514
N-methyl-4-propan-2-yl-5-(propylaminomethyl)-N-(3,3,3-trifluoropropyl)-1,3-thiazol-2-amine
CID 79382866
5-(ethylaminomethyl)-N-methyl-N,4-di(propan-2-yl)-1,3-thiazol-2-amine
CID 79395786
2-methyl-N-[(4-propan-2-yl-2-propyl-1,3-thiazol-5-yl)methyl]propan-1-amine
CID 82433844

Frequently Asked Questions

What is the IUPAC name of N-methyl-5-[(2-methylpropylamino)methyl]-N-(2-methylsulfanylethyl)-4-propan-2-yl-1,3-thiazol-2-amine?
The IUPAC name of N-methyl-5-[(2-methylpropylamino)methyl]-N-(2-methylsulfanylethyl)-4-propan-2-yl-1,3-thiazol-2-amine (CID 115987930) is N-methyl-5-[(2-methylpropylamino)methyl]-N-(2-methylsulfanylethyl)-4-propan-2-yl-1,3-thiazol-2-amine.
What is the SMILES notation for N-methyl-5-[(2-methylpropylamino)methyl]-N-(2-methylsulfanylethyl)-4-propan-2-yl-1,3-thiazol-2-amine?
The canonical SMILES for N-methyl-5-[(2-methylpropylamino)methyl]-N-(2-methylsulfanylethyl)-4-propan-2-yl-1,3-thiazol-2-amine is CSCCN(C)c1nc(C(C)C)c(CNCC(C)C)s1.
What is the InChIKey of N-methyl-5-[(2-methylpropylamino)methyl]-N-(2-methylsulfanylethyl)-4-propan-2-yl-1,3-thiazol-2-amine?
The InChIKey is RTLBZNUAKHRBQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29N3S2/c1-11(2)9-16-10-13-14(12(3)4)17-15(20-13)18(5)7-8-19-6/h11-12,16H,7-10H2,1-6H3.
What are the key properties of N-methyl-5-[(2-methylpropylamino)methyl]-N-(2-methylsulfanylethyl)-4-propan-2-yl-1,3-thiazol-2-amine?
N-methyl-5-[(2-methylpropylamino)methyl]-N-(2-methylsulfanylethyl)-4-propan-2-yl-1,3-thiazol-2-amine has a molecular weight of 315.55 g/mol, XLogP of 3.81, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-5-[(2-methylpropylamino)methyl]-N-(2-methylsulfanylethyl)-4-propan-2-yl-1,3-thiazol-2-amine is sourced from PubChem (CID 115987930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).