1,3-dimethyl-N-[(2S)-2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]pyrazolo[5,4-d][1,3]thiazol-5-amine

C17H23N5O2S — CID 97269367

IUPAC1,3-dimethyl-N-[(2S)-2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]pyrazolo[5,4-d][1,3]thiazol-5-amine
SMILESCc1ccc([C@H](CNc2nc3c(s2)c(C)nn3C)N2CCOCC2)o1
InChIInChI=1S/C17H23N5O2S/c1-11-4-5-14(24-11)13(22-6-8-23-9-7-22)10-18-17-19-16-15(25-17)12(2)20-21(16)3/h4-5,13H,6-10H2,1-3H3,(H,18,19)/t13-/m0/s1
InChIKeyLNWXWRLPKPZITL-ZDUSSCGKSA-N
MW361.47 g/mol
LogP2.73
Rot. Bonds5

About 1,3-dimethyl-N-[(2S)-2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]pyrazolo[5,4-d][1,3]thiazol-5-amine

1,3-dimethyl-N-[(2S)-2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]pyrazolo[5,4-d][1,3]thiazol-5-amine (PubChem CID 97269367) has the molecular formula C17H23N5O2S and a molecular weight of 361.47 g/mol. Its IUPAC name is 1,3-dimethyl-N-[(2S)-2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]pyrazolo[5,4-d][1,3]thiazol-5-amine.

Molecular Properties

Compound Name1,3-dimethyl-N-[(2S)-2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]pyrazolo[5,4-d][1,3]thiazol-5-amine
PubChem CID97269367
Molecular FormulaC17H23N5O2S
Molecular Weight361.47 g/mol
Exact Mass361.16
IUPAC Name1,3-dimethyl-N-[(2S)-2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]pyrazolo[5,4-d][1,3]thiazol-5-amine
SMILESCc1ccc([C@H](CNc2nc3c(s2)c(C)nn3C)N2CCOCC2)o1
InChIInChI=1S/C17H23N5O2S/c1-11-4-5-14(24-11)13(22-6-8-23-9-7-22)10-18-17-19-16-15(25-17)12(2)20-21(16)3/h4-5,13H,6-10H2,1-3H3,(H,18,19)/t13-/m0/s1
InChIKeyLNWXWRLPKPZITL-ZDUSSCGKSA-N
XLogP2.73
TPSA68.35 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.47
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

1,3-dimethyl-N-[(2S)-2-morpholin-4-yl-2-pyridin-4-ylethyl]pyrazolo[5,4-d][1,3]thiazol-5-amine
CID 97280743
N-[(2S)-2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]-2-(1,3,5-trimethylpyrazol-4-yl)acetamide
CID 30544005
2-methyl-N-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]propan-1-amine
CID 120509320
4-methyl-N-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]-2-(2,5,6-trimethyl-3-oxopyridazin-4-yl)-1,3-thiazole-5-carboxamide
CID 55678305
4-N-methyl-2-N-[(2S)-2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]pyrimidine-2,4-diamine
CID 95134762
N-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]-3-(4-methyl-1,2,4-triazol-3-yl)propanamide
CID 74233266
2,5-dichloro-N-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]thiophene-3-sulfonamide
CID 55461406
N,1,3-trimethyl-N-[(2R)-2-morpholin-4-ylpropyl]pyrazolo[5,4-d][1,3]thiazol-5-amine
CID 97274513
N-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]-2-nitroaniline
CID 134032103
6-chloro-2-cyclopropyl-N-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]pyrimidin-4-amine
CID 133432547
1-methyl-3-[(2R)-2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]-1-[(4-methyl-1,2,4-triazol-3-yl)methyl]urea
CID 126454901
5-methyl-N-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 18125403

Frequently Asked Questions

What is the IUPAC name of 1,3-dimethyl-N-[(2S)-2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]pyrazolo[5,4-d][1,3]thiazol-5-amine?
The IUPAC name of 1,3-dimethyl-N-[(2S)-2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]pyrazolo[5,4-d][1,3]thiazol-5-amine (CID 97269367) is 1,3-dimethyl-N-[(2S)-2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]pyrazolo[5,4-d][1,3]thiazol-5-amine.
What is the SMILES notation for 1,3-dimethyl-N-[(2S)-2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]pyrazolo[5,4-d][1,3]thiazol-5-amine?
The canonical SMILES for 1,3-dimethyl-N-[(2S)-2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]pyrazolo[5,4-d][1,3]thiazol-5-amine is Cc1ccc([C@H](CNc2nc3c(s2)c(C)nn3C)N2CCOCC2)o1.
What is the InChIKey of 1,3-dimethyl-N-[(2S)-2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]pyrazolo[5,4-d][1,3]thiazol-5-amine?
The InChIKey is LNWXWRLPKPZITL-ZDUSSCGKSA-N. The full InChI is InChI=1S/C17H23N5O2S/c1-11-4-5-14(24-11)13(22-6-8-23-9-7-22)10-18-17-19-16-15(25-17)12(2)20-21(16)3/h4-5,13H,6-10H2,1-3H3,(H,18,19)/t13-/m0/s1.
What are the key properties of 1,3-dimethyl-N-[(2S)-2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]pyrazolo[5,4-d][1,3]thiazol-5-amine?
1,3-dimethyl-N-[(2S)-2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]pyrazolo[5,4-d][1,3]thiazol-5-amine has a molecular weight of 361.47 g/mol, XLogP of 2.73, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethyl-N-[(2S)-2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]pyrazolo[5,4-d][1,3]thiazol-5-amine is sourced from PubChem (CID 97269367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).