4-[4-(methoxymethyl)-2-(pyrrolidin-1-ylmethyl)-1,3-thiazol-5-yl]-1,3-thiazol-2-amine

C13H18N4OS2 — CID 82441496

IUPAC4-[4-(methoxymethyl)-2-(pyrrolidin-1-ylmethyl)-1,3-thiazol-5-yl]-1,3-thiazol-2-amine
SMILESCOCc1nc(CN2CCCC2)sc1-c1csc(N)n1
InChIInChI=1S/C13H18N4OS2/c1-18-7-9-12(10-8-19-13(14)16-10)20-11(15-9)6-17-4-2-3-5-17/h8H,2-7H2,1H3,(H2,14,16)
InChIKeyBGVYWOJBWPJNRP-UHFFFAOYSA-N
MW310.45 g/mol
LogP2.59
Rot. Bonds5

About 4-[4-(methoxymethyl)-2-(pyrrolidin-1-ylmethyl)-1,3-thiazol-5-yl]-1,3-thiazol-2-amine

4-[4-(methoxymethyl)-2-(pyrrolidin-1-ylmethyl)-1,3-thiazol-5-yl]-1,3-thiazol-2-amine (PubChem CID 82441496) has the molecular formula C13H18N4OS2 and a molecular weight of 310.45 g/mol. Its IUPAC name is 4-[4-(methoxymethyl)-2-(pyrrolidin-1-ylmethyl)-1,3-thiazol-5-yl]-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-[4-(methoxymethyl)-2-(pyrrolidin-1-ylmethyl)-1,3-thiazol-5-yl]-1,3-thiazol-2-amine
PubChem CID82441496
Molecular FormulaC13H18N4OS2
Molecular Weight310.45 g/mol
Exact Mass310.09
IUPAC Name4-[4-(methoxymethyl)-2-(pyrrolidin-1-ylmethyl)-1,3-thiazol-5-yl]-1,3-thiazol-2-amine
SMILESCOCc1nc(CN2CCCC2)sc1-c1csc(N)n1
InChIInChI=1S/C13H18N4OS2/c1-18-7-9-12(10-8-19-13(14)16-10)20-11(15-9)6-17-4-2-3-5-17/h8H,2-7H2,1H3,(H2,14,16)
InChIKeyBGVYWOJBWPJNRP-UHFFFAOYSA-N
XLogP2.59
TPSA64.27 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.45
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

4-[2-(methoxymethyl)-4-propyl-1,3-thiazol-5-yl]-1,3-thiazol-2-amine
CID 82432860
4-[4-ethyl-2-(methylsulfanylmethyl)-1,3-thiazol-5-yl]-1,3-thiazol-2-amine
CID 82429231
4-(piperidin-1-ylmethyl)-1,3-thiazol-2-amine;dihydrochloride
CID 70789243
4-[4-ethyl-2-(2-methylpropyl)-1,3-thiazol-5-yl]-1,3-thiazol-2-amine
CID 82429533
[4-(methoxymethyl)-2-[(4-methylpiperidin-1-yl)methyl]-1,3-thiazol-5-yl]methanamine
CID 82441546
[4-(methoxymethyl)-2-[(4-methylpiperazin-1-yl)methyl]-1,3-thiazol-5-yl]methanethiol
CID 82441582
4-(4-methoxyphenyl)-2-(piperidin-1-ylmethyl)-1,3-thiazole
CID 84570130
4-[3-(methoxymethyl)-1,2-oxazol-5-yl]-1,3-thiazol-2-amine
CID 14814702
4-[2-(piperidin-1-ylmethyl)-1,3-thiazol-4-yl]aniline
CID 70524977
4-(2-ethyl-4-propan-2-yl-1,3-thiazol-5-yl)-1,3-thiazol-2-amine
CID 82433618
[4-(methoxymethyl)-2-[(3-methylpiperidin-1-yl)methyl]-1,3-thiazol-5-yl]methanol
CID 82441519
4-(4-methoxy-2,6-dimethylphenyl)-2-(piperidin-1-ylmethyl)-1,3-thiazole
CID 84566831

Frequently Asked Questions

What is the IUPAC name of 4-[4-(methoxymethyl)-2-(pyrrolidin-1-ylmethyl)-1,3-thiazol-5-yl]-1,3-thiazol-2-amine?
The IUPAC name of 4-[4-(methoxymethyl)-2-(pyrrolidin-1-ylmethyl)-1,3-thiazol-5-yl]-1,3-thiazol-2-amine (CID 82441496) is 4-[4-(methoxymethyl)-2-(pyrrolidin-1-ylmethyl)-1,3-thiazol-5-yl]-1,3-thiazol-2-amine.
What is the SMILES notation for 4-[4-(methoxymethyl)-2-(pyrrolidin-1-ylmethyl)-1,3-thiazol-5-yl]-1,3-thiazol-2-amine?
The canonical SMILES for 4-[4-(methoxymethyl)-2-(pyrrolidin-1-ylmethyl)-1,3-thiazol-5-yl]-1,3-thiazol-2-amine is COCc1nc(CN2CCCC2)sc1-c1csc(N)n1.
What is the InChIKey of 4-[4-(methoxymethyl)-2-(pyrrolidin-1-ylmethyl)-1,3-thiazol-5-yl]-1,3-thiazol-2-amine?
The InChIKey is BGVYWOJBWPJNRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4OS2/c1-18-7-9-12(10-8-19-13(14)16-10)20-11(15-9)6-17-4-2-3-5-17/h8H,2-7H2,1H3,(H2,14,16).
What are the key properties of 4-[4-(methoxymethyl)-2-(pyrrolidin-1-ylmethyl)-1,3-thiazol-5-yl]-1,3-thiazol-2-amine?
4-[4-(methoxymethyl)-2-(pyrrolidin-1-ylmethyl)-1,3-thiazol-5-yl]-1,3-thiazol-2-amine has a molecular weight of 310.45 g/mol, XLogP of 2.59, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(methoxymethyl)-2-(pyrrolidin-1-ylmethyl)-1,3-thiazol-5-yl]-1,3-thiazol-2-amine is sourced from PubChem (CID 82441496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).