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

C14H17Cl2N3OS — CID 114366495

IUPACN-[[2-(3,5-dichloro-2-pyridinyl)-4-(methoxymethyl)-1,3-thiazol-5-yl]methyl]propan-2-amine
SMILESCOCc1nc(-c2ncc(Cl)cc2Cl)sc1CNC(C)C
InChIInChI=1S/C14H17Cl2N3OS/c1-8(2)17-6-12-11(7-20-3)19-14(21-12)13-10(16)4-9(15)5-18-13/h4-5,8,17H,6-7H2,1-3H3
InChIKeyZBYZYTVYVOMHNZ-UHFFFAOYSA-N
MW346.28 g/mol
LogP4.16
Rot. Bonds6

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

N-[[2-(3,5-dichloro-2-pyridinyl)-4-(methoxymethyl)-1,3-thiazol-5-yl]methyl]propan-2-amine (PubChem CID 114366495) has the molecular formula C14H17Cl2N3OS and a molecular weight of 346.28 g/mol. Its IUPAC name is N-[[2-(3,5-dichloro-2-pyridinyl)-4-(methoxymethyl)-1,3-thiazol-5-yl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[2-(3,5-dichloro-2-pyridinyl)-4-(methoxymethyl)-1,3-thiazol-5-yl]methyl]propan-2-amine
PubChem CID114366495
Molecular FormulaC14H17Cl2N3OS
Molecular Weight346.28 g/mol
Exact Mass345.05
IUPAC NameN-[[2-(3,5-dichloro-2-pyridinyl)-4-(methoxymethyl)-1,3-thiazol-5-yl]methyl]propan-2-amine
SMILESCOCc1nc(-c2ncc(Cl)cc2Cl)sc1CNC(C)C
InChIInChI=1S/C14H17Cl2N3OS/c1-8(2)17-6-12-11(7-20-3)19-14(21-12)13-10(16)4-9(15)5-18-13/h4-5,8,17H,6-7H2,1-3H3
InChIKeyZBYZYTVYVOMHNZ-UHFFFAOYSA-N
XLogP4.16
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.28
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[[2-(3,5-dichloro-2-pyridinyl)-4-(methoxymethyl)-1,3-thiazol-5-yl]methyl]propan-2-amine?
The IUPAC name of N-[[2-(3,5-dichloro-2-pyridinyl)-4-(methoxymethyl)-1,3-thiazol-5-yl]methyl]propan-2-amine (CID 114366495) is N-[[2-(3,5-dichloro-2-pyridinyl)-4-(methoxymethyl)-1,3-thiazol-5-yl]methyl]propan-2-amine.
What is the SMILES notation for N-[[2-(3,5-dichloro-2-pyridinyl)-4-(methoxymethyl)-1,3-thiazol-5-yl]methyl]propan-2-amine?
The canonical SMILES for N-[[2-(3,5-dichloro-2-pyridinyl)-4-(methoxymethyl)-1,3-thiazol-5-yl]methyl]propan-2-amine is COCc1nc(-c2ncc(Cl)cc2Cl)sc1CNC(C)C.
What is the InChIKey of N-[[2-(3,5-dichloro-2-pyridinyl)-4-(methoxymethyl)-1,3-thiazol-5-yl]methyl]propan-2-amine?
The InChIKey is ZBYZYTVYVOMHNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17Cl2N3OS/c1-8(2)17-6-12-11(7-20-3)19-14(21-12)13-10(16)4-9(15)5-18-13/h4-5,8,17H,6-7H2,1-3H3.
What are the key properties of N-[[2-(3,5-dichloro-2-pyridinyl)-4-(methoxymethyl)-1,3-thiazol-5-yl]methyl]propan-2-amine?
N-[[2-(3,5-dichloro-2-pyridinyl)-4-(methoxymethyl)-1,3-thiazol-5-yl]methyl]propan-2-amine has a molecular weight of 346.28 g/mol, XLogP of 4.16, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(3,5-dichloro-2-pyridinyl)-4-(methoxymethyl)-1,3-thiazol-5-yl]methyl]propan-2-amine is sourced from PubChem (CID 114366495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).