(3R)-4-[3-chloro-7-(2-isocyanopropan-2-yl)-[1,2]thiazolo[4,5-b]pyridin-5-yl]-3-methylmorpholine

C15H17ClN4OS — CID 169061207

IUPAC(3R)-4-[3-chloro-7-(2-isocyanopropan-2-yl)-[1,2]thiazolo[4,5-b]pyridin-5-yl]-3-methylmorpholine
SMILES[C-]#[N+]C(C)(C)c1cc(N2CCOC[C@H]2C)nc2c(Cl)nsc12
InChIInChI=1S/C15H17ClN4OS/c1-9-8-21-6-5-20(9)11-7-10(15(2,3)17-4)13-12(18-11)14(16)19-22-13/h7,9H,5-6,8H2,1-3H3/t9-/m1/s1
InChIKeyLNBBNDUTWNQNIB-SECBINFHSA-N
MW336.85 g/mol
LogP3.72
Rot. Bonds2

About (3R)-4-[3-chloro-7-(2-isocyanopropan-2-yl)-[1,2]thiazolo[4,5-b]pyridin-5-yl]-3-methylmorpholine

(3R)-4-[3-chloro-7-(2-isocyanopropan-2-yl)-[1,2]thiazolo[4,5-b]pyridin-5-yl]-3-methylmorpholine (PubChem CID 169061207) has the molecular formula C15H17ClN4OS and a molecular weight of 336.85 g/mol. Its IUPAC name is (3R)-4-[3-chloro-7-(2-isocyanopropan-2-yl)-[1,2]thiazolo[4,5-b]pyridin-5-yl]-3-methylmorpholine.

Molecular Properties

Compound Name(3R)-4-[3-chloro-7-(2-isocyanopropan-2-yl)-[1,2]thiazolo[4,5-b]pyridin-5-yl]-3-methylmorpholine
PubChem CID169061207
Molecular FormulaC15H17ClN4OS
Molecular Weight336.85 g/mol
Exact Mass336.08
IUPAC Name(3R)-4-[3-chloro-7-(2-isocyanopropan-2-yl)-[1,2]thiazolo[4,5-b]pyridin-5-yl]-3-methylmorpholine
SMILES[C-]#[N+]C(C)(C)c1cc(N2CCOC[C@H]2C)nc2c(Cl)nsc12
InChIInChI=1S/C15H17ClN4OS/c1-9-8-21-6-5-20(9)11-7-10(15(2,3)17-4)13-12(18-11)14(16)19-22-13/h7,9H,5-6,8H2,1-3H3/t9-/m1/s1
InChIKeyLNBBNDUTWNQNIB-SECBINFHSA-N
XLogP3.72
TPSA42.61 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.85
LogP ≤ 53.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

(3R)-4-[2-chloro-6-(isocyanomethyl)pyrimidin-4-yl]-3-methylmorpholine
CID 169304968
(3R)-4-[6-chloro-4-(isocyanomethyl)-2-pyridinyl]-3-methylmorpholine
CID 169304957
4-(2-chloro-6-methylpyrimidin-4-yl)-3-methylmorpholine
CID 62483626
4-(6-chloropyrazin-2-yl)-3-methylmorpholine
CID 61360365
2-methyl-2-[5-[(3R)-3-methylmorpholin-4-yl]-3-[5-methyl-2-(oxetan-2-yl)pyrazol-3-yl]-[1,2]thiazolo[4,5-b]pyridin-7-yl]propanenitrile
CID 175565507
4-[4-chloro-6-(3-methylmorpholin-4-yl)pyrimidin-2-yl]-3-methylmorpholine
CID 123801845
2-[4-chloro-6-(3-methylmorpholin-4-yl)-2-pyridinyl]propan-2-ol
CID 166983217
4-(4-chloro-6-methyl-2-pyridinyl)-3-methylmorpholine
CID 166928502
2-tert-butyl-6-(3-methylmorpholin-4-yl)pyrimidin-4-amine
CID 80966887
N-[2-chloro-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-4-yl]methanimine
CID 146533977
(3R)-4-[7-chloro-3-[5-methyl-2-(oxetan-2-yl)pyrazol-3-yl]-[1,2]thiazolo[4,5-b]pyridin-5-yl]-3-methylmorpholine
CID 175565490
4-(4,8-dichloro-1,7-naphthyridin-2-yl)-3-methylmorpholine
CID 134446451

Frequently Asked Questions

What is the IUPAC name of (3R)-4-[3-chloro-7-(2-isocyanopropan-2-yl)-[1,2]thiazolo[4,5-b]pyridin-5-yl]-3-methylmorpholine?
The IUPAC name of (3R)-4-[3-chloro-7-(2-isocyanopropan-2-yl)-[1,2]thiazolo[4,5-b]pyridin-5-yl]-3-methylmorpholine (CID 169061207) is (3R)-4-[3-chloro-7-(2-isocyanopropan-2-yl)-[1,2]thiazolo[4,5-b]pyridin-5-yl]-3-methylmorpholine.
What is the SMILES notation for (3R)-4-[3-chloro-7-(2-isocyanopropan-2-yl)-[1,2]thiazolo[4,5-b]pyridin-5-yl]-3-methylmorpholine?
The canonical SMILES for (3R)-4-[3-chloro-7-(2-isocyanopropan-2-yl)-[1,2]thiazolo[4,5-b]pyridin-5-yl]-3-methylmorpholine is [C-]#[N+]C(C)(C)c1cc(N2CCOC[C@H]2C)nc2c(Cl)nsc12.
What is the InChIKey of (3R)-4-[3-chloro-7-(2-isocyanopropan-2-yl)-[1,2]thiazolo[4,5-b]pyridin-5-yl]-3-methylmorpholine?
The InChIKey is LNBBNDUTWNQNIB-SECBINFHSA-N. The full InChI is InChI=1S/C15H17ClN4OS/c1-9-8-21-6-5-20(9)11-7-10(15(2,3)17-4)13-12(18-11)14(16)19-22-13/h7,9H,5-6,8H2,1-3H3/t9-/m1/s1.
What are the key properties of (3R)-4-[3-chloro-7-(2-isocyanopropan-2-yl)-[1,2]thiazolo[4,5-b]pyridin-5-yl]-3-methylmorpholine?
(3R)-4-[3-chloro-7-(2-isocyanopropan-2-yl)-[1,2]thiazolo[4,5-b]pyridin-5-yl]-3-methylmorpholine has a molecular weight of 336.85 g/mol, XLogP of 3.72, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-4-[3-chloro-7-(2-isocyanopropan-2-yl)-[1,2]thiazolo[4,5-b]pyridin-5-yl]-3-methylmorpholine is sourced from PubChem (CID 169061207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).