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

C16H31N3OS — CID 63009443

IUPACN-(3-methoxypropyl)-N-methyl-5-[(2-methylpropylamino)methyl]-4-propyl-1,3-thiazol-2-amine
SMILESCCCc1nc(N(C)CCCOC)sc1CNCC(C)C
InChIInChI=1S/C16H31N3OS/c1-6-8-14-15(12-17-11-13(2)3)21-16(18-14)19(4)9-7-10-20-5/h13,17H,6-12H2,1-5H3
InChIKeyFMDVYDNXZLDSGX-UHFFFAOYSA-N
MW313.51 g/mol
LogP3.31
Rot. Bonds11

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

N-(3-methoxypropyl)-N-methyl-5-[(2-methylpropylamino)methyl]-4-propyl-1,3-thiazol-2-amine (PubChem CID 63009443) has the molecular formula C16H31N3OS and a molecular weight of 313.51 g/mol. Its IUPAC name is N-(3-methoxypropyl)-N-methyl-5-[(2-methylpropylamino)methyl]-4-propyl-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-(3-methoxypropyl)-N-methyl-5-[(2-methylpropylamino)methyl]-4-propyl-1,3-thiazol-2-amine
PubChem CID63009443
Molecular FormulaC16H31N3OS
Molecular Weight313.51 g/mol
Exact Mass313.22
IUPAC NameN-(3-methoxypropyl)-N-methyl-5-[(2-methylpropylamino)methyl]-4-propyl-1,3-thiazol-2-amine
SMILESCCCc1nc(N(C)CCCOC)sc1CNCC(C)C
InChIInChI=1S/C16H31N3OS/c1-6-8-14-15(12-17-11-13(2)3)21-16(18-14)19(4)9-7-10-20-5/h13,17H,6-12H2,1-5H3
InChIKeyFMDVYDNXZLDSGX-UHFFFAOYSA-N
XLogP3.31
TPSA37.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.51
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-butyl-4-ethyl-N-methyl-5-[(2-methylpropylamino)methyl]-1,3-thiazol-2-amine
CID 62766184
N-methyl-5-[(2-methylpropylamino)methyl]-4-propyl-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine
CID 62767142
N'-[4-ethyl-5-[(2-methylpropylamino)methyl]-1,3-thiazol-2-yl]-N,N,N'-trimethylpropane-1,3-diamine
CID 63725858
4-ethyl-N-methyl-5-[(2-methylpropylamino)methyl]-N-(2-propan-2-yloxyethyl)-1,3-thiazol-2-amine
CID 81064695
N-(2-ethoxyethyl)-5-[(2-methoxyethylamino)methyl]-N-methyl-4-propyl-1,3-thiazol-2-amine
CID 81064688
N-butyl-N-methyl-5-[(2-methylpropylamino)methyl]-4-propan-2-yl-1,3-thiazol-2-amine
CID 79395047
N-cyclopentyl-N-methyl-5-[(2-methylpropylamino)methyl]-4-propyl-1,3-thiazol-2-amine
CID 63514472
N-methyl-5-[(2-methylpropylamino)methyl]-N-(1-methylsulfanylpropan-2-yl)-4-propyl-1,3-thiazol-2-amine
CID 115987996
N-butan-2-yl-5-[(2-methoxyethylamino)methyl]-N-methyl-4-propyl-1,3-thiazol-2-amine
CID 62767611
5-[(2-methoxyethylamino)methyl]-N-propan-2-yl-N,4-dipropyl-1,3-thiazol-2-amine
CID 62766747
4-cyclopropyl-5-(ethylaminomethyl)-N-(3-methoxypropyl)-N-methyl-1,3-thiazol-2-amine
CID 63916243
4-ethyl-5-[(2-methoxyethylamino)methyl]-N-methyl-N-(3-methylbutyl)-1,3-thiazol-2-amine
CID 62767763

Frequently Asked Questions

What is the IUPAC name of N-(3-methoxypropyl)-N-methyl-5-[(2-methylpropylamino)methyl]-4-propyl-1,3-thiazol-2-amine?
The IUPAC name of N-(3-methoxypropyl)-N-methyl-5-[(2-methylpropylamino)methyl]-4-propyl-1,3-thiazol-2-amine (CID 63009443) is N-(3-methoxypropyl)-N-methyl-5-[(2-methylpropylamino)methyl]-4-propyl-1,3-thiazol-2-amine.
What is the SMILES notation for N-(3-methoxypropyl)-N-methyl-5-[(2-methylpropylamino)methyl]-4-propyl-1,3-thiazol-2-amine?
The canonical SMILES for N-(3-methoxypropyl)-N-methyl-5-[(2-methylpropylamino)methyl]-4-propyl-1,3-thiazol-2-amine is CCCc1nc(N(C)CCCOC)sc1CNCC(C)C.
What is the InChIKey of N-(3-methoxypropyl)-N-methyl-5-[(2-methylpropylamino)methyl]-4-propyl-1,3-thiazol-2-amine?
The InChIKey is FMDVYDNXZLDSGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31N3OS/c1-6-8-14-15(12-17-11-13(2)3)21-16(18-14)19(4)9-7-10-20-5/h13,17H,6-12H2,1-5H3.
What are the key properties of N-(3-methoxypropyl)-N-methyl-5-[(2-methylpropylamino)methyl]-4-propyl-1,3-thiazol-2-amine?
N-(3-methoxypropyl)-N-methyl-5-[(2-methylpropylamino)methyl]-4-propyl-1,3-thiazol-2-amine has a molecular weight of 313.51 g/mol, XLogP of 3.31, 11 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methoxypropyl)-N-methyl-5-[(2-methylpropylamino)methyl]-4-propyl-1,3-thiazol-2-amine is sourced from PubChem (CID 63009443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).