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

C14H21N3OS2 — CID 114366552

IUPACN-[[4-(methoxymethyl)-2-[(4-methyl-1,3-thiazol-2-yl)methyl]-1,3-thiazol-5-yl]methyl]propan-2-amine
SMILESCOCc1nc(Cc2nc(C)cs2)sc1CNC(C)C
InChIInChI=1S/C14H21N3OS2/c1-9(2)15-6-12-11(7-18-4)17-14(20-12)5-13-16-10(3)8-19-13/h8-9,15H,5-7H2,1-4H3
InChIKeyBDPZYDXKIWWYEF-UHFFFAOYSA-N
MW311.48 g/mol
LogP3.14
Rot. Bonds7

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

N-[[4-(methoxymethyl)-2-[(4-methyl-1,3-thiazol-2-yl)methyl]-1,3-thiazol-5-yl]methyl]propan-2-amine (PubChem CID 114366552) has the molecular formula C14H21N3OS2 and a molecular weight of 311.48 g/mol. Its IUPAC name is N-[[4-(methoxymethyl)-2-[(4-methyl-1,3-thiazol-2-yl)methyl]-1,3-thiazol-5-yl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[4-(methoxymethyl)-2-[(4-methyl-1,3-thiazol-2-yl)methyl]-1,3-thiazol-5-yl]methyl]propan-2-amine
PubChem CID114366552
Molecular FormulaC14H21N3OS2
Molecular Weight311.48 g/mol
Exact Mass311.11
IUPAC NameN-[[4-(methoxymethyl)-2-[(4-methyl-1,3-thiazol-2-yl)methyl]-1,3-thiazol-5-yl]methyl]propan-2-amine
SMILESCOCc1nc(Cc2nc(C)cs2)sc1CNC(C)C
InChIInChI=1S/C14H21N3OS2/c1-9(2)15-6-12-11(7-18-4)17-14(20-12)5-13-16-10(3)8-19-13/h8-9,15H,5-7H2,1-4H3
InChIKeyBDPZYDXKIWWYEF-UHFFFAOYSA-N
XLogP3.14
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.48
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[[4-(methoxymethyl)-2-(propoxymethyl)-1,3-thiazol-5-yl]methyl]propan-2-amine
CID 114366587
N-[[2-[2-(2,2-difluoroethoxy)ethyl]-4-(methoxymethyl)-1,3-thiazol-5-yl]methyl]propan-2-amine
CID 103150641
N-[[4-(methoxymethyl)-2-(5-methylpyrimidin-2-yl)-1,3-thiazol-5-yl]methyl]propan-2-amine
CID 114366562
N-[[4-(methoxymethyl)-2-(2-methoxypropan-2-yl)-1,3-thiazol-5-yl]methyl]propan-2-amine
CID 114366475
N-[[2-(5-fluoro-2-pyridinyl)-4-(methoxymethyl)-1,3-thiazol-5-yl]methyl]propan-2-amine
CID 114366484
1-[2-(ethylsulfanylmethyl)-4-(methoxymethyl)-1,3-thiazol-5-yl]-N-methylmethanamine
CID 82440651
N-[[2-(3,5-dichloro-2-pyridinyl)-4-(methoxymethyl)-1,3-thiazol-5-yl]methyl]propan-2-amine
CID 114366495
N-[[2-(3-bromophenyl)-4-(methoxymethyl)-1,3-thiazol-5-yl]methyl]propan-2-amine
CID 114366575
N-[[2-[(2-methyl-1,3-thiazol-4-yl)methyl]-4-propan-2-yl-1,3-thiazol-5-yl]methyl]propan-2-amine
CID 114365476
N-[[2-(3-fluoro-4-methylphenyl)-4-(methoxymethyl)-1,3-thiazol-5-yl]methyl]propan-2-amine
CID 114366514
N-[[2-(2-bromophenyl)-4-(methoxymethyl)-1,3-thiazol-5-yl]methyl]propan-2-amine
CID 114366494
N'-[4-(methoxymethyl)-5-[(propan-2-ylamino)methyl]-1,3-thiazol-2-yl]-N,N,N'-trimethylethane-1,2-diamine
CID 107510420

Frequently Asked Questions

What is the IUPAC name of N-[[4-(methoxymethyl)-2-[(4-methyl-1,3-thiazol-2-yl)methyl]-1,3-thiazol-5-yl]methyl]propan-2-amine?
The IUPAC name of N-[[4-(methoxymethyl)-2-[(4-methyl-1,3-thiazol-2-yl)methyl]-1,3-thiazol-5-yl]methyl]propan-2-amine (CID 114366552) is N-[[4-(methoxymethyl)-2-[(4-methyl-1,3-thiazol-2-yl)methyl]-1,3-thiazol-5-yl]methyl]propan-2-amine.
What is the SMILES notation for N-[[4-(methoxymethyl)-2-[(4-methyl-1,3-thiazol-2-yl)methyl]-1,3-thiazol-5-yl]methyl]propan-2-amine?
The canonical SMILES for N-[[4-(methoxymethyl)-2-[(4-methyl-1,3-thiazol-2-yl)methyl]-1,3-thiazol-5-yl]methyl]propan-2-amine is COCc1nc(Cc2nc(C)cs2)sc1CNC(C)C.
What is the InChIKey of N-[[4-(methoxymethyl)-2-[(4-methyl-1,3-thiazol-2-yl)methyl]-1,3-thiazol-5-yl]methyl]propan-2-amine?
The InChIKey is BDPZYDXKIWWYEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3OS2/c1-9(2)15-6-12-11(7-18-4)17-14(20-12)5-13-16-10(3)8-19-13/h8-9,15H,5-7H2,1-4H3.
What are the key properties of N-[[4-(methoxymethyl)-2-[(4-methyl-1,3-thiazol-2-yl)methyl]-1,3-thiazol-5-yl]methyl]propan-2-amine?
N-[[4-(methoxymethyl)-2-[(4-methyl-1,3-thiazol-2-yl)methyl]-1,3-thiazol-5-yl]methyl]propan-2-amine has a molecular weight of 311.48 g/mol, XLogP of 3.14, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(methoxymethyl)-2-[(4-methyl-1,3-thiazol-2-yl)methyl]-1,3-thiazol-5-yl]methyl]propan-2-amine is sourced from PubChem (CID 114366552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).