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

C16H31N3S2 — CID 115987996

IUPACN-methyl-5-[(2-methylpropylamino)methyl]-N-(1-methylsulfanylpropan-2-yl)-4-propyl-1,3-thiazol-2-amine
SMILESCCCc1nc(N(C)C(C)CSC)sc1CNCC(C)C
InChIInChI=1S/C16H31N3S2/c1-7-8-14-15(10-17-9-12(2)3)21-16(18-14)19(5)13(4)11-20-6/h12-13,17H,7-11H2,1-6H3
InChIKeyMDOQCOSMNYVEHT-UHFFFAOYSA-N
MW329.58 g/mol
LogP4.03
Rot. Bonds10

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

N-methyl-5-[(2-methylpropylamino)methyl]-N-(1-methylsulfanylpropan-2-yl)-4-propyl-1,3-thiazol-2-amine (PubChem CID 115987996) has the molecular formula C16H31N3S2 and a molecular weight of 329.58 g/mol. Its IUPAC name is N-methyl-5-[(2-methylpropylamino)methyl]-N-(1-methylsulfanylpropan-2-yl)-4-propyl-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-methyl-5-[(2-methylpropylamino)methyl]-N-(1-methylsulfanylpropan-2-yl)-4-propyl-1,3-thiazol-2-amine
PubChem CID115987996
Molecular FormulaC16H31N3S2
Molecular Weight329.58 g/mol
Exact Mass329.20
IUPAC NameN-methyl-5-[(2-methylpropylamino)methyl]-N-(1-methylsulfanylpropan-2-yl)-4-propyl-1,3-thiazol-2-amine
SMILESCCCc1nc(N(C)C(C)CSC)sc1CNCC(C)C
InChIInChI=1S/C16H31N3S2/c1-7-8-14-15(10-17-9-12(2)3)21-16(18-14)19(5)13(4)11-20-6/h12-13,17H,7-11H2,1-6H3
InChIKeyMDOQCOSMNYVEHT-UHFFFAOYSA-N
XLogP4.03
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.58
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-cyclopentyl-N-methyl-5-[(2-methylpropylamino)methyl]-4-propyl-1,3-thiazol-2-amine
CID 63514472
N-methyl-N-(1-methylsulfanylbutan-2-yl)-4-propyl-5-(propylaminomethyl)-1,3-thiazol-2-amine
CID 115987957
4-(methoxymethyl)-N-methyl-N-(1-methylsulfanylpropan-2-yl)-5-(propylaminomethyl)-1,3-thiazol-2-amine
CID 107510697
N-methyl-5-[(2-methylpropylamino)methyl]-4-propyl-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine
CID 62767142
2-methyl-N-[(2-methyl-4-propyl-1,3-thiazol-5-yl)methyl]propan-1-amine
CID 82431222
N-(3-methoxypropyl)-N-methyl-5-[(2-methylpropylamino)methyl]-4-propyl-1,3-thiazol-2-amine
CID 63009443
N-methyl-5-(methylaminomethyl)-N-(4-methylpentan-2-yl)-4-propyl-1,3-thiazol-2-amine
CID 62768269
N-(cyclopropylmethyl)-N-ethyl-5-[(2-methylpropylamino)methyl]-4-propyl-1,3-thiazol-2-amine
CID 63941083
N-butyl-4-ethyl-N-methyl-5-[(2-methylpropylamino)methyl]-1,3-thiazol-2-amine
CID 62766184
4-butan-2-yl-5-(ethylaminomethyl)-N-methyl-N-(1-methylsulfanylpropan-2-yl)-1,3-thiazol-2-amine
CID 115988003
N-butan-2-yl-5-[(2-methoxyethylamino)methyl]-N-methyl-4-propyl-1,3-thiazol-2-amine
CID 62767611
4-ethyl-N-methyl-N-(4-methylpentan-2-yl)-5-(propylaminomethyl)-1,3-thiazol-2-amine
CID 62768109

Frequently Asked Questions

What is the IUPAC name of N-methyl-5-[(2-methylpropylamino)methyl]-N-(1-methylsulfanylpropan-2-yl)-4-propyl-1,3-thiazol-2-amine?
The IUPAC name of N-methyl-5-[(2-methylpropylamino)methyl]-N-(1-methylsulfanylpropan-2-yl)-4-propyl-1,3-thiazol-2-amine (CID 115987996) is N-methyl-5-[(2-methylpropylamino)methyl]-N-(1-methylsulfanylpropan-2-yl)-4-propyl-1,3-thiazol-2-amine.
What is the SMILES notation for N-methyl-5-[(2-methylpropylamino)methyl]-N-(1-methylsulfanylpropan-2-yl)-4-propyl-1,3-thiazol-2-amine?
The canonical SMILES for N-methyl-5-[(2-methylpropylamino)methyl]-N-(1-methylsulfanylpropan-2-yl)-4-propyl-1,3-thiazol-2-amine is CCCc1nc(N(C)C(C)CSC)sc1CNCC(C)C.
What is the InChIKey of N-methyl-5-[(2-methylpropylamino)methyl]-N-(1-methylsulfanylpropan-2-yl)-4-propyl-1,3-thiazol-2-amine?
The InChIKey is MDOQCOSMNYVEHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31N3S2/c1-7-8-14-15(10-17-9-12(2)3)21-16(18-14)19(5)13(4)11-20-6/h12-13,17H,7-11H2,1-6H3.
What are the key properties of N-methyl-5-[(2-methylpropylamino)methyl]-N-(1-methylsulfanylpropan-2-yl)-4-propyl-1,3-thiazol-2-amine?
N-methyl-5-[(2-methylpropylamino)methyl]-N-(1-methylsulfanylpropan-2-yl)-4-propyl-1,3-thiazol-2-amine has a molecular weight of 329.58 g/mol, XLogP of 4.03, 10 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-(1-methylsulfanylpropan-2-yl)-4-propyl-1,3-thiazol-2-amine is sourced from PubChem (CID 115987996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).